| 6ZV | Name: | N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py
rimidin-2-amine | Formula: | C27 H32 F2 N8 | SMILES: | C(C)N1CCN(CC1)Cc5ccc(Nc2nc(c(F)cn2)c4cc3c(nc(C)n3C(C)C)c(c4)F)nc5 | InChi: | InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | Synonyms: | Abemaciclib | Definition date: | 2016-08-03 | Last modified: | 2020-06-17 | Release date: | 2016-08-23 | Identifier: | N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine |
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| 6ZZ | Name: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | Formula: | C23 H30 N8 O | SMILES: | c1(nc2c(cn1)cc(C(N(C)C)=O)n2C3CCCC3)Nc4ncc(cc4)N5CCNCC5 | InChi: | InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28) | Synonyms: | Ribociclib | Definition date: | 2016-08-03 | Last modified: | 2020-06-17 | Release date: | 2016-08-23 | Identifier: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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| D2A | Name: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE | Formula: | C21 H18 N6 | SMILES: | [N@H]=C(N)c1ccc(cc1)c4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4 | InChi: | InChI=1S/C21H18N6/c22-19(23)14-5-1-12(2-6-14)13-3-7-15(8-4-13)21-26-17-10-9-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) | Synonyms: | DB921 | Definition date: | 2005-09-16 | Last modified: | 2020-06-17 | Identifier: | 2-(4'-carbamimidoylbiphenyl-4-yl)-1H-benzimidazole-6-carboximidamide |
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| D2S | Name: | 4,4'-disulfanediyldibenzene-1,3-diol | Formula: | C12 H10 O4 S2 | SMILES: | S(Sc1ccc(O)cc1O)c2ccc(O)cc2O | InChi: | InChI=1S/C12H10O4S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6,13-16H | Synonyms: | 4-(2,4-dihydroxyphenyl)disulfanylbenzene-1,3-diol | Definition date: | 2009-08-24 | Last modified: | 2020-06-17 | Identifier: | 4,4'-disulfanediyldibenzene-1,3-diol |
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| 715 | Name: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A
MINE | Formula: | C16 H15 F6 N5 O | SMILES: | Fc1cc(c(F)cc1F)CC(N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F | InChi: | InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | Synonyms: | Sitagliptin | Definition date: | 2004-08-16 | Last modified: | 2020-06-17 | Identifier: | (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine |
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| D31 | Name: | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | Formula: | C24 H31 N5 O2 | SMILES: | O=C(Nc3cccc2c1nnc(c1C(=O)c23)C4CCCCC4)CN5CCC(CC5)CN | InChi: | InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28) | Synonyms: | DIN-101312 | Definition date: | 2005-09-28 | Last modified: | 2020-06-17 | Identifier: | 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide |
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| 71C | Name: | 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid | Formula: | C33 H27 N O8 | SMILES: | c1(c(cc(C(O)=O)c(c1)C(=O)O)C(O)=O)C(=O)N(Cc2cccc(c2)Oc3ccccc3)C4CCCc5ccccc45 | InChi: | InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1 | Synonyms: | antagonist A-317491 | Definition date: | 2016-08-10 | Last modified: | 2020-06-17 | Release date: | 2016-10-05 | Identifier: | 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid |
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| 71D | Name: | (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanami
de | Formula: | C22 H25 Cl N6 O2 | SMILES: | c3nc(c1c(n(CCOC)c(c1c2ccc(Cl)cc2)CC(C#N)C(NC(C)C)=O)n3)N | InChi: | InChI=1S/C22H25ClN6O2/c1-13(2)28-22(30)15(11-24)10-17-18(14-4-6-16(23)7-5-14)19-20(25)26-12-27-21(19)29(17)8-9-31-3/h4-7,12-13,15H,8-10H2,1-3H3,(H,28,30)(H2,25,26,27)/t15-/m1/s1 | Synonyms: | Rao-IV-151, bound form | Definition date: | 2016-08-10 | Last modified: | 2020-06-17 | Release date: | 2017-08-16 | Identifier: | (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide |
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| 71E | Name: | DZ 2384 | Formula: | C34 H36 F N5 O7 | SMILES: | CC(C)[CH](O)C(=O)N[CH]1Cc2ccc3O[CH]4Nc5ccc(F)cc5[C]4(c6oc(nc6c7occ(CO)n7)[CH](NC1=O)C(C)(C)C)c3c2 | InChi: | InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25+,26+,32+,34-/m0/s1 | Synonyms: | optimized synthetic derivative of diazonamide AB-5 | Definition date: | 2016-08-11 | Last modified: | 2020-06-17 | Release date: | 2016-11-30 |
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| 71I | Name: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d]
[1,3]thiazole-6,7-diol | Formula: | C11 H20 N2 O4 S | SMILES: | CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1 | InChi: | InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1 | Synonyms: | Butylaminothiazoline | Definition date: | 2015-10-21 | Last modified: | 2020-06-17 | Release date: | 2016-08-31 | Identifier: | (3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
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| D3A | Name: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic
acid | Formula: | C29 H31 Cl N2 O6 | SMILES: | O=C(O)CC5CCN(C(=O)CC3OC(c1cc(Cl)ccc1n2cccc23)c4cccc(OC)c4OC)CC5 | InChi: | InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1 | Synonyms: | 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acet
ic acid | Definition date: | 2012-01-11 | Last modified: | 2020-06-17 | Release date: | 2012-12-14 | Identifier: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid |
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| D3M | Name: | 3,6-dichloro-2-methoxybenzoic acid | Formula: | C8 H6 Cl2 O3 | SMILES: | Clc1ccc(Cl)c(c1OC)C(=O)O | InChi: | InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12) | Synonyms: | Dicamba | Definition date: | 2009-02-20 | Last modified: | 2020-06-17 | Identifier: | 3,6-dichloro-2-methoxybenzoic acid |
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| 71Y | Name: | ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole
-2-carboxamide | Formula: | C20 H23 Cl N2 O3 | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23 | InChi: | InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m0/s1 | Synonyms: | I-p300 | Definition date: | 2016-08-14 | Last modified: | 2020-06-17 | Release date: | 2017-08-16 | Identifier: | ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide |
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| 72G | Name: | 4-(3-formylphenyl)-benzenesulfonamide | Formula: | C13 H11 N O3 S | SMILES: | O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2 | InChi: | InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17) | Synonyms: | 3'-formyl[1,1'-biphenyl]-4-sulfonamide | Definition date: | 2016-08-15 | Last modified: | 2020-06-17 | Release date: | 2016-12-21 | Identifier: | 3'-formyl[1,1'-biphenyl]-4-sulfonamide |
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| D4V | Name: | 3-methylpyridin-2-ol | Formula: | C6 H7 N O | SMILES: | c1nc(O)c(cc1)C | InChi: | InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8) | Synonyms: | (R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER | Definition date: | 2017-10-18 | Last modified: | 2020-06-17 | Release date: | 2018-10-17 | Identifier: | 3-methylpyridin-2-ol |
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| D54 | Name: | 4-deoxy-L-threo-hex-5-ulosuronic acid | Formula: | C6 H8 O6 | SMILES: | O=CC(O)C(O)CC(=O)C(=O)O | InChi: | InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1 | Synonyms: | 5-keto-4-deoxy-D-Galacturonate | Definition date: | 2011-03-23 | Last modified: | 2020-06-17 | Identifier: | 4-deoxy-L-threo-hex-5-ulosuronic acid |
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| D5G | Name: | (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE | Formula: | C17 H25 N3 O3 S | SMILES: | O=C(NC1COC(O)C1)C(NC(=S)Nc2ccccc2)CC(C)C | InChi: | InChI=1S/C17H25N3O3S/c1-11(2)8-14(16(22)18-13-9-15(21)23-10-13)20-17(24)19-12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,18,22)(H2,19,20,24)/t13-,14-,15-/m0/s1 | Synonyms: | SNJ-1715 | Definition date: | 2006-03-08 | Last modified: | 2020-06-17 | Identifier: | N-[(3S,5S)-5-hydroxytetrahydrofuran-3-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide |
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| D5H | Name: | 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid | Formula: | C20 H18 F N O4 | SMILES: | COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2 | InChi: | InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25) | Synonyms: | Vidofludimus, 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid | Definition date: | 2017-08-01 | Last modified: | 2020-06-17 | Release date: | 2018-10-31 | Identifier: | 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid |
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| D5T | Name: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi
din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione | Formula: | C30 H38 N4 O6 | SMILES: | COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CC(C)(C)CC4=O)C(=O)[CH]5CC=CC[CH]25 | InChi: | InChI=1S/C30H38N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h5-6,9-10,15,20-22H,7-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1 | Synonyms: | NPD-226 | Definition date: | 2017-12-25 | Last modified: | 2020-06-17 | Release date: | 2019-04-10 | Identifier: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione |
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| 74T | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl
{(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p
henylbutan-2-yl}carbamate | Formula: | C38 H53 N5 O7 S2 | SMILES: | O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c4ccc5nc(sc5c4)NC7CCN(C6CCCC6)CC7 | InChi: | InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1 | Synonyms: | TMC310911 | Definition date: | 2011-03-22 | Last modified: | 2020-06-17 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
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| 74X | Name: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol
an-2-yl]methyl]thiourea | Formula: | C18 H18 Cl F3 N4 O4 S | SMILES: | FC(F)(F)c1cc(ccc1Cl)NC(=S)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O | InChi: | InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14-/m0/s1 | Synonyms: | (THIO)UREA-ALPHA-DEOXYTHYMIDINE DERIVATIVE | Definition date: | 2012-10-24 | Last modified: | 2020-06-17 | Release date: | 2013-07-24 | Identifier: | 5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-2',5'-dideoxy-3,4-dihydrothymidine |
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| EF1 | Name: | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid | Formula: | C21 H35 N2 O5 P | SMILES: | O=C(O)C(CCCCCN)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C | InChi: | InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1 | Synonyms: | EF6265 | Definition date: | 2013-06-13 | Last modified: | 2020-06-17 | Release date: | 2013-10-02 | Identifier: | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid |
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| EF6 | Name: | N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide | Formula: | C14 H12 Cl N3 O4 S2 | SMILES: | N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl | InChi: | InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20) | Synonyms: | Indisulam | Definition date: | 2019-08-05 | Last modified: | 2020-06-17 | Release date: | 2019-11-13 | Identifier: | N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide |
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| 75D | Name: | 2,4,6-tri(propan-2-yl)benzenesulfonic acid | Formula: | C15 H24 O3 S | SMILES: | O=S(=O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C | InChi: | InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18) | Synonyms: | 2,4,6-triisopropylbenzenesulfonic acid | Definition date: | 2013-12-13 | Last modified: | 2020-06-17 | Release date: | 2014-11-19 | Identifier: | 2,4,6-tri(propan-2-yl)benzenesulfonic acid |
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| EFG | Name: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one | Formula: | C12 H13 F N5 O7 P | SMILES: | O=P(O)(O)OCC4OC(n1cnc3c1n2ccnc2NC3=O)C(F)C4O | InChi: | InChI=1S/C12H13FN5O7P/c13-6-8(19)5(3-24-26(21,22)23)25-11(6)18-4-15-7-9(20)16-12-14-1-2-17(12)10(7)18/h1-2,4-6,8,11,19H,3H2,(H,14,16,20)(H2,21,22,23)/t5-,6+,8-,11-/m1/s1 | Synonyms: | 2'-F-N2,3-etheno-2'-deoxyarabinoguanosine | Definition date: | 2012-01-04 | Last modified: | 2020-06-17 | Identifier: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one |
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