![SZD SZD](https://data.pdbj.org/pdbjplus/data/cc/svg/SZD.svg) | SZD | Name: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide | Formula: | C20 H13 F5 N2 O4 S | SMILES: | Fc1cc(F)cc(c1)C(=O)Nc2cccc(c2)[S](=O)(=O)Nc3ccc(OC(F)(F)F)cc3 | InChi: | InChI=1S/C20H13F5N2O4S/c21-13-8-12(9-14(22)10-13)19(28)26-16-2-1-3-18(11-16)32(29,30)27-15-4-6-17(7-5-15)31-20(23,24)25/h1-11,27H,(H,26,28) | Definition date: | 2020-03-13 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide |
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![SZV SZV](https://data.pdbj.org/pdbjplus/data/cc/svg/SZV.svg) | SZV | Name: | 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid | Formula: | C20 H14 N4 O5 | SMILES: | c2(c(n1c(cncc1)n2)Nc3ccc(c(C(O)=O)c3)C(O)=O)c4c(cccc4)O | InChi: | InChI=1S/C20H14N4O5/c25-15-4-2-1-3-13(15)17-18(24-8-7-21-10-16(24)23-17)22-11-5-6-12(19(26)27)14(9-11)20(28)29/h1-10,22,25H,(H,26,27)(H,28,29) | Definition date: | 2020-03-16 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid |
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![TK7 TK7](https://data.pdbj.org/pdbjplus/data/cc/svg/TK7.svg) | TK7 | Name: | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C34 H52 N3 O11 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(=O)OC2COC3C2CCO3)(CN(CC(CC)CC)S(c4ccc(cc4)N)(=O)=O)O | InChi: | InChI=1S/C34H52N3O11PS/c1-5-24(6-2)20-37(50(41,42)28-15-11-26(35)12-16-28)21-31(38)30(36-34(39)48-32-22-44-33-29(32)17-18-43-33)19-25-9-13-27(14-10-25)45-23-49(40,46-7-3)47-8-4/h9-16,24,29-33,38H,5-8,17-23,35H2,1-4H3,(H,36,39)/t29-,30-,31+,32-,33+/m0/s1 | Definition date: | 2020-03-23 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![U0Z U0Z](https://data.pdbj.org/pdbjplus/data/cc/svg/U0Z.svg) | U0Z | Name: | 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline | Formula: | C10 H10 N2 S | SMILES: | N=C1Sc2cccc3CCCN1c23 | InChi: | InChI=1S/C10H10N2S/c11-10-12-6-2-4-7-3-1-5-8(13-10)9(7)12/h1,3,5,11H,2,4,6H2/b11-10+ | Synonyms: | 3-Thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-imine | Definition date: | 2021-01-17 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-imine |
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![U72 U72](https://data.pdbj.org/pdbjplus/data/cc/svg/U72.svg) | U72 | Name: | 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine | Formula: | C12 H15 N3 | SMILES: | CN1Cc2cccc3CCCN(C1=N)c23 | InChi: | InChI=1S/C12H15N3/c1-14-8-10-5-2-4-9-6-3-7-15(11(9)10)12(14)13/h2,4-5,13H,3,6-8H2,1H3/b13-12+ | Synonyms: | 3-methyl-1,3-diazatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-2-imine | Definition date: | 2021-01-27 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 3-methyl-1,3-diazatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-2-imine |
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![U7H U7H](https://data.pdbj.org/pdbjplus/data/cc/svg/U7H.svg) | U7H | Name: | 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1H-pyrazol-1-yl)propan-1-one | Formula: | C27 H29 N5 O2 | SMILES: | Cc1nn(C[C](C)(O)C(=O)N2CCN(CC2)c3cccc4cnccc34)cc1c5ccccc5 | InChi: | InChI=1S/C27H29N5O2/c1-20-24(21-7-4-3-5-8-21)18-32(29-20)19-27(2,34)26(33)31-15-13-30(14-16-31)25-10-6-9-22-17-28-12-11-23(22)25/h3-12,17-18,34H,13-16,19H2,1-2H3/t27-/m0/s1 | Synonyms: | (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-pyrazol-1-yl)-2-oxidanyl-propan-1-one | Definition date: | 2021-01-28 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-pyrazol-1-yl)-2-oxidanyl-propan-1-one |
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![U7K U7K](https://data.pdbj.org/pdbjplus/data/cc/svg/U7K.svg) | U7K | Name: | (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one | Formula: | C27 H29 N5 O2 S | SMILES: | C[C](O)(CN=C1Sc2cccc3CCCN1c23)C(=O)N4CCN(CC4)c5cccc6cnccc56 | InChi: | InChI=1S/C27H29N5O2S/c1-27(34,18-29-26-32-12-4-7-19-5-3-9-23(35-26)24(19)32)25(33)31-15-13-30(14-16-31)22-8-2-6-20-17-28-11-10-21(20)22/h2-3,5-6,8-11,17,34H,4,7,12-16,18H2,1H3/b29-26+/t27-/m0/s1 | Synonyms: | (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-2-oxidanyl-3-[(~{E})-3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-ylideneamino]propan-1-one | Definition date: | 2021-01-28 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-2-oxidanyl-3-[(~{E})-3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-ylideneamino]propan-1-one |
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![U9Y U9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/U9Y.svg) | U9Y | Name: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine | Formula: | C17 H18 Cl2 N6 | SMILES: | c12nnc(c1ncc(n2)N3CCC(CC3)(C)N)c4cccc(c4Cl)Cl | InChi: | InChI=1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24) | Definition date: | 2020-05-05 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine |
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![UQK UQK](https://data.pdbj.org/pdbjplus/data/cc/svg/UQK.svg) | UQK | Name: | N-oxalyl-alpha-methylalanine | Formula: | C6 H9 N O5 | SMILES: | CC(C)(NC(=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C6H9NO5/c1-6(2,5(11)12)7-3(8)4(9)10/h1-2H3,(H,7,8)(H,9,10)(H,11,12) | Synonyms: | 2-(carboxycarbonylamino)-2-methyl-propanoic acid | Definition date: | 2021-03-09 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 2-(carboxycarbonylamino)-2-methyl-propanoic acid |
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![V2J V2J](https://data.pdbj.org/pdbjplus/data/cc/svg/V2J.svg) | V2J | Name: | 5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine | Formula: | C15 H21 N6 O8 P | SMILES: | c21n(cnc1c(ncn2)N)C4C(C(C(COP(=O)(O)N3CC(CC3)C(=O)O)O4)O)O | InChi: | InChI=1S/C15H21N6O8P/c16-12-9-13(18-5-17-12)21(6-19-9)14-11(23)10(22)8(29-14)4-28-30(26,27)20-2-1-7(3-20)15(24)25/h5-8,10-11,14,22-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,10+,11+,14+/m0/s1 | Definition date: | 2020-06-19 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine |
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![V2P V2P](https://data.pdbj.org/pdbjplus/data/cc/svg/V2P.svg) | V2P | Name: | (2~{S})-1-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid | Formula: | C15 H21 N6 O8 P | SMILES: | C(C4N(P(O)(OCC3C(O)C(O)C(n1c2c(nc1)c(N)ncn2)O3)=O)CCC4)(O)=O | InChi: | InChI=1S/C15H21N6O8P/c16-12-9-13(18-5-17-12)20(6-19-9)14-11(23)10(22)8(29-14)4-28-30(26,27)21-3-1-2-7(21)15(24)25/h5-8,10-11,14,22-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,10+,11+,14+/m0/s1 | Definition date: | 2020-06-19 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | (2S)-1-[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]pyrrolidine-2-carboxylic acid (non-preferred name) |
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![V2S V2S](https://data.pdbj.org/pdbjplus/data/cc/svg/V2S.svg) | V2S | Name: | (2~{S})-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid | Formula: | C19 H23 N6 O8 P | SMILES: | C(C(NP(=O)(O)OCC3OC(n2c1c(c(N)ncn1)nc2)C(O)C3O)Cc4ccccc4)(O)=O | InChi: | InChI=1S/C19H23N6O8P/c20-16-13-17(22-8-21-16)25(9-23-13)18-15(27)14(26)12(33-18)7-32-34(30,31)24-11(19(28)29)6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,26-27H,6-7H2,(H,28,29)(H2,20,21,22)(H2,24,30,31)/t11-,12+,14+,15+,18+/m0/s1 | Definition date: | 2020-06-19 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}-3-phenylpropanoic acid (non-preferred name) |
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![VRD VRD](https://data.pdbj.org/pdbjplus/data/cc/svg/VRD.svg) | VRD | Name: | ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid | Formula: | C21 H20 N2 O5 | SMILES: | CCc2c(C(C(=O)N)=O)c1c(cccc1n2Cc3ccccc3)OCC(=O)O | InChi: | InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25) | Synonyms: | Varespladib | Definition date: | 2019-07-25 | Last modified: | 2021-03-08 | Release date: | 2019-12-04 | Identifier: | ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid |
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![KTB KTB](https://data.pdbj.org/pdbjplus/data/cc/svg/KTB.svg) | KTB | Name: | NeuGc GM3 | Formula: | C23 H39 N O20 | SMILES: | OC[CH](O)[CH](O)[CH]1O[C](C[CH](O)[CH]1NC(=O)CO)(O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH]2O)C(O)=O | InChi: | InChI=1S/C23H39NO20/c25-2-7(30)12(32)18-11(24-10(31)5-28)6(29)1-23(43-18,22(38)39)44-19-13(33)8(3-26)41-21(16(19)36)42-17-9(4-27)40-20(37)15(35)14(17)34/h6-9,11-21,25-30,32-37H,1-5H2,(H,24,31)(H,38,39)/t6-,7+,8+,9+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21-,23-/m0/s1 | Definition date: | 2019-06-21 | Last modified: | 2021-03-08 | Release date: | 2020-07-15 | Identifier: | (2~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-5-(2-oxidanylethanoylamino)-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid |
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![VLZ VLZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VLZ.svg) | VLZ | Name: | 1,3-dihydroxypropan-2-yl dodecanoate | Formula: | C15 H30 O4 | SMILES: | O(C(CO)CO)C(=O)CCCCCCCCCCC | InChi: | InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-14(12-16)13-17/h14,16-17H,2-13H2,1H3 | Synonyms: | 2-lauroylglycerol | Definition date: | 2020-09-15 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | 1,3-dihydroxypropan-2-yl dodecanoate |
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![VPY VPY](https://data.pdbj.org/pdbjplus/data/cc/svg/VPY.svg) | VPY | Name: | S-[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | Formula: | C23 H38 O3 S | SMILES: | S(C(=O)CCC[C@H]=CC[C@H]=CCC=[C@H]C[C@H]=[C@H]CCCCC)CC(O)CO | InChi: | InChI=1S/C23H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-/t22-/m1/s1 | Definition date: | 2020-09-02 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | S-[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate |
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![YOG YOG](https://data.pdbj.org/pdbjplus/data/cc/svg/YOG.svg) | YOG | Name: | 1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate | Formula: | C21 H40 O4 | SMILES: | O(C(CO)CO)C(=O)CCCCCCC[C@H]=CCCCCCCCC | InChi: | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9- | Definition date: | 2020-08-27 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | 1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate |
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![G6L G6L](https://data.pdbj.org/pdbjplus/data/cc/svg/G6L.svg) | G6L | Name: | (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | Formula: | C10 H17 N3 S | SMILES: | CCCN[CH]1CCc2nc(N)sc2C1 | InChi: | InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1 | Definition date: | 2020-07-31 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | (6~{S})-~{N}6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine |
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![G6O G6O](https://data.pdbj.org/pdbjplus/data/cc/svg/G6O.svg) | G6O | Name: | (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol | Formula: | C14 H19 N O3 | SMILES: | CCCN1CCO[CH]2[CH]1COc3ccc(O)cc23 | InChi: | InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1 | Definition date: | 2020-07-31 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | (4~{a}~{R},10~{b}~{R})-4-propyl-3,4~{a},5,10~{b}-tetrahydro-2~{H}-chromeno[4,3-b][1,4]oxazin-9-ol |
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![WD7 WD7](https://data.pdbj.org/pdbjplus/data/cc/svg/WD7.svg) | WD7 | Name: | N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide | Formula: | C11 H16 N6 O4 S2 | SMILES: | c12C(N(C)C(=O)N(C)c1ncn2CCNC(NS(C)(=O)=O)=O)=S | InChi: | InChI=1S/C11H16N6O4S2/c1-15-8-7(9(22)16(2)11(15)19)17(6-13-8)5-4-12-10(18)14-23(3,20)21/h6H,4-5H2,1-3H3,(H2,12,14,18) | Definition date: | 2020-10-15 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide |
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![WDA WDA](https://data.pdbj.org/pdbjplus/data/cc/svg/WDA.svg) | WDA | Name: | 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione | Formula: | C19 H18 N6 O5 | SMILES: | C(n2cnc1N(C(=O)N(C(c12)=O)C)C)c3ccc(cc3)CC4C(NC(=O)NC4=O)=O | InChi: | InChI=1S/C19H18N6O5/c1-23-14-13(17(28)24(2)19(23)30)25(9-20-14)8-11-5-3-10(4-6-11)7-12-15(26)21-18(29)22-16(12)27/h3-6,9,12H,7-8H2,1-2H3,(H2,21,22,26,27,29) | Definition date: | 2020-10-16 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione |
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![WDD WDD](https://data.pdbj.org/pdbjplus/data/cc/svg/WDD.svg) | WDD | Name: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione | Formula: | C13 H20 N6 O3 | SMILES: | C(Nc1nc2c(n1)C(=O)N(C)C(N2C)=O)CN3CCOCC3 | InChi: | InChI=1S/C13H20N6O3/c1-17-10-9(11(20)18(2)13(17)21)15-12(16-10)14-3-4-19-5-7-22-8-6-19/h3-8H2,1-2H3,(H2,14,15,16) | Definition date: | 2020-10-16 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
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![WDG WDG](https://data.pdbj.org/pdbjplus/data/cc/svg/WDG.svg) | WDG | Name: | 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid | Formula: | C15 H21 N5 O4 S | SMILES: | C(CN1CCC(C(O)=O)CC1)Sc3nc2c(C(N(C)C(N2C)=O)=O)n3 | InChi: | InChI=1S/C15H21N5O4S/c1-18-11-10(12(21)19(2)15(18)24)16-14(17-11)25-8-7-20-5-3-9(4-6-20)13(22)23/h9H,3-8H2,1-2H3,(H,16,17)(H,22,23) | Definition date: | 2020-10-16 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid |
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![WDJ WDJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WDJ.svg) | WDJ | Name: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | Formula: | C13 H19 N5 O4 S2 | SMILES: | C3(N(C(c2nc(SCCN1CCS(CC1)(=O)=O)nc2N3C)=O)C)=O | InChi: | InChI=1S/C13H19N5O4S2/c1-16-10-9(11(19)17(2)13(16)20)14-12(15-10)23-6-3-18-4-7-24(21,22)8-5-18/h3-8H2,1-2H3,(H,14,15) | Definition date: | 2020-10-16 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
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![WDM WDM](https://data.pdbj.org/pdbjplus/data/cc/svg/WDM.svg) | WDM | Name: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one | Formula: | C13 H17 N5 O3 S2 | SMILES: | C(CSc2nc1N(C(=O)N(C)C(c1n2)=S)C)(N3CCOCC3)=O | InChi: | InChI=1S/C13H17N5O3S2/c1-16-10-9(11(22)17(2)13(16)20)14-12(15-10)23-7-8(19)18-3-5-21-6-4-18/h3-7H2,1-2H3,(H,14,15) | Definition date: | 2020-10-16 | Last modified: | 2021-03-05 | Release date: | 2021-03-10 | Identifier: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one |
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