![5ZD 5ZD](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZD.svg) | 5ZD | Name: | 2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid | Formula: | C10 H16 N2 O2 S | SMILES: | CCCCCCc1sc(N)nc1C(O)=O | InChi: | InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-7-8(9(13)14)12-10(11)15-7/h2-6H2,1H3,(H2,11,12)(H,13,14) | Definition date: | 2023-01-10 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid |
|
![5ZR 5ZR](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZR.svg) | 5ZR | Name: | 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid | Formula: | C11 H18 N2 O2 S | SMILES: | CCCCCCCc1sc(N)nc1C(O)=O | InChi: | InChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15) | Definition date: | 2023-01-10 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid |
|
![5ZU 5ZU](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZU.svg) | 5ZU | Name: | 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid | Formula: | C9 H8 N2 O2 S2 | SMILES: | Nc1sc(Cc2sccc2)c(n1)C(O)=O | InChi: | InChI=1S/C9H8N2O2S2/c10-9-11-7(8(12)13)6(15-9)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11)(H,12,13) | Definition date: | 2023-01-10 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid |
|
![5ZX 5ZX](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZX.svg) | 5ZX | Name: | 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid | Formula: | C12 H12 N2 O2 S | SMILES: | Nc1sc(CCc2ccccc2)c(n1)C(O)=O | InChi: | InChI=1S/C12H12N2O2S/c13-12-14-10(11(15)16)9(17-12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14)(H,15,16) | Definition date: | 2023-01-10 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid |
|
![60J 60J](https://data.pdbj.org/pdbjplus/data/cc/svg/60J.svg) | 60J | Name: | 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid | Formula: | C10 H10 N2 O2 S2 | SMILES: | Nc1sc(CCc2sccc2)c(n1)C(O)=O | InChi: | InChI=1S/C10H10N2O2S2/c11-10-12-8(9(13)14)7(16-10)4-3-6-2-1-5-15-6/h1-2,5H,3-4H2,(H2,11,12)(H,13,14) | Definition date: | 2023-01-10 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid |
|
![5A5 5A5](https://data.pdbj.org/pdbjplus/data/cc/svg/5A5.svg) | 5A5 | Name: | 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid | Formula: | C14 H16 N2 O2 S | SMILES: | CC(C)c1ccc(Cc2sc(N)nc2C(O)=O)cc1 | InChi: | InChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18) | Definition date: | 2023-01-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
|
![5I6 5I6](https://data.pdbj.org/pdbjplus/data/cc/svg/5I6.svg) | 5I6 | Name: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid | Formula: | C15 H16 N2 O3 S | SMILES: | Nc1sc(Cc2ccc(OCCC=C)cc2)c(n1)C(O)=O | InChi: | InChI=1S/C15H16N2O3S/c1-2-3-8-20-11-6-4-10(5-7-11)9-12-13(14(18)19)17-15(16)21-12/h2,4-7H,1,3,8-9H2,(H2,16,17)(H,18,19) | Definition date: | 2023-01-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
|
![QDL QDL](https://data.pdbj.org/pdbjplus/data/cc/svg/QDL.svg) | QDL | Name: | Antheraxanthin | Formula: | C40 H56 O3 | SMILES: | CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)C(C)(C)C[CH](O)C1 | InChi: | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 | Synonyms: | (1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol | Definition date: | 2022-10-25 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol |
|
![QI0 QI0](https://data.pdbj.org/pdbjplus/data/cc/svg/QI0.svg) | QI0 | Name: | Basmisanil | Formula: | C21 H20 F N3 O5 S | SMILES: | Cc1onc(c1COc2ccc(cn2)C(=O)N3CC[S](=O)(=O)CC3)c4ccc(F)cc4 | InChi: | InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3 | Synonyms: | [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone | Definition date: | 2022-10-29 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone |
|
![QK9 QK9](https://data.pdbj.org/pdbjplus/data/cc/svg/QK9.svg) | QK9 | Name: | 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene | Formula: | C13 H8 Br F2 N5 | SMILES: | FC(F)c1ncn2c1Cn3ncnc3c4cc(Br)ccc24 | InChi: | InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2 | Definition date: | 2022-11-08 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene |
|
![QKF QKF](https://data.pdbj.org/pdbjplus/data/cc/svg/QKF.svg) | QKF | Name: | [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone | Formula: | C21 H22 N4 O5 S | SMILES: | Cc1onc(c1COc2ccc(cn2)C(=O)N3CC[S](=O)(=O)CC3)c4ccc(C)nc4 | InChi: | InChI=1S/C21H22N4O5S/c1-14-3-4-16(11-22-14)20-18(15(2)30-24-20)13-29-19-6-5-17(12-23-19)21(26)25-7-9-31(27,28)10-8-25/h3-6,11-12H,7-10,13H2,1-2H3 | Definition date: | 2022-11-08 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone |
|
![QM7 QM7](https://data.pdbj.org/pdbjplus/data/cc/svg/QM7.svg) | QM7 | Name: | 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide | Formula: | C22 H26 N4 O4 | SMILES: | CCC[CH](CO)NC(=O)c1ccc(OCc2c(C)onc2c3ccc(C)nc3)nc1 | InChi: | InChI=1S/C22H26N4O4/c1-4-5-18(12-27)25-22(28)17-8-9-20(24-11-17)29-13-19-15(3)30-26-21(19)16-7-6-14(2)23-10-16/h6-11,18,27H,4-5,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1 | Definition date: | 2022-11-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide |
|
![QMJ QMJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QMJ.svg) | QMJ | Name: | ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate | Formula: | C18 H19 N3 O4 | SMILES: | CCOC(=O)c1ncn2c3ccc(OC)cc3C(=O)N4CCC[CH]4c12 | InChi: | InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1 | Definition date: | 2022-11-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate |
|
![QR3 QR3](https://data.pdbj.org/pdbjplus/data/cc/svg/QR3.svg) | QR3 | Name: | 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one | Formula: | C21 H24 N6 O3 | SMILES: | Cc1onc(c1CN2N=CC(=CC2=O)N3CC4(CCCCO4)C3)c5ccc(C)nn5 | InChi: | InChI=1S/C21H24N6O3/c1-14-5-6-18(24-23-14)20-17(15(2)30-25-20)11-27-19(28)9-16(10-22-27)26-12-21(13-26)7-3-4-8-29-21/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3 | Definition date: | 2022-11-11 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one |
|
![K16 K16](https://data.pdbj.org/pdbjplus/data/cc/svg/K16.svg) | K16 | Name: | Cephaeline | Formula: | C28 H38 N2 O4 | SMILES: | CC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[CH]4NCCc5cc(O)c(OC)cc45 | InChi: | InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1 | Synonyms: | (1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol | Definition date: | 2023-08-10 | Last modified: | 2023-10-25 | Release date: | 2023-09-13 | Identifier: | (1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol |
|
![WME WME](https://data.pdbj.org/pdbjplus/data/cc/svg/WME.svg) | WME | Name: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid | Formula: | C53 H51 Cl2 F N6 O9 S | SMILES: | CN1CCN(CC1)CC1Oc2c(Cl)c(C)c(c3c4c(ncnc4sc3c3ccc(F)cc3)OC(Cc3cc(OC1)ccc3OCc1ccnc(n1)c1ccc(OCC3COCCO3)cc1)C(=O)O)c(C)c2Cl | InChi: | InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1 | Definition date: | 2022-09-29 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid |
|
![WQF WQF](https://data.pdbj.org/pdbjplus/data/cc/svg/WQF.svg) | WQF | Name: | (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid | Formula: | C12 H17 N2 O7 P | SMILES: | Oc1c(CNC(C=C)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C12H17N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,10,14-15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1 | Definition date: | 2022-10-12 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid |
|
![VF0 VF0](https://data.pdbj.org/pdbjplus/data/cc/svg/VF0.svg) | VF0 | Name: | (2R)-2-azanyl-3-[oxidanyl-[(2R)-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid | Formula: | C20 H38 N O9 P | SMILES: | CCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O | InChi: | InChI=1S/C20H38NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)28-14-17(22)15-29-31(26,27)30-16-18(21)20(24)25/h5-6,17-18,22H,2-4,7-16,21H2,1H3,(H,24,25)(H,26,27)/t17-,18-/m1/s1 | Definition date: | 2023-07-21 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2~{R})-2-azanyl-3-[oxidanyl-[(2~{R})-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid |
|
![X9T X9T](https://data.pdbj.org/pdbjplus/data/cc/svg/X9T.svg) | X9T | Name: | (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one | Formula: | C22 H20 Cl N5 O3 | SMILES: | Cc1ncc2NC(=O)N(c2n1)c1cnc(Oc2cccc3OCC(C)(C)c32)c(Cl)c1C | InChi: | InChI=1S/C22H20ClN5O3/c1-11-14(28-19-13(27-21(28)29)8-24-12(2)26-19)9-25-20(18(11)23)31-16-7-5-6-15-17(16)22(3,4)10-30-15/h5-9H,10H2,1-4H3,(H,27,29) | Definition date: | 2022-11-08 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one |
|
![VX0 VX0](https://data.pdbj.org/pdbjplus/data/cc/svg/VX0.svg) | VX0 | Name: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide | Formula: | C19 H20 F3 N5 O2 | SMILES: | C[CH]1[CH](C)n2ncc(N3CCCC3=O)c2CN1C(=O)Nc4cc(F)c(F)c(F)c4 | InChi: | InChI=1S/C19H20F3N5O2/c1-10-11(2)27-16(15(8-23-27)25-5-3-4-17(25)28)9-26(10)19(29)24-12-6-13(20)18(22)14(21)7-12/h6-8,10-11H,3-5,9H2,1-2H3,(H,24,29) | Definition date: | 2023-08-31 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide |
|
![WYN WYN](https://data.pdbj.org/pdbjplus/data/cc/svg/WYN.svg) | WYN | Name: | quinalphos | Formula: | C12 H15 N2 O3 P S | SMILES: | CCOP(=S)(OCC)Oc1cnc2ccccc2n1 | InChi: | InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 | Synonyms: | O,O-diethyl O-(quinoxalin-2-yl) phosphorothioate | Definition date: | 2022-10-24 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | O,O-diethyl O-(quinoxalin-2-yl) phosphorothioate |
|
![WYS WYS](https://data.pdbj.org/pdbjplus/data/cc/svg/WYS.svg) | WYS | Name: | parathion | Formula: | C10 H14 N O5 P S | SMILES: | S=P(Oc1ccc(cc1)N(=O)=O)(OCC)OCC | InChi: | InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 | Synonyms: | O,O-diethyl O-(4-nitrophenyl) phosphorothioate | Definition date: | 2022-10-24 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | O,O-diethyl O-(4-nitrophenyl) phosphorothioate |
|
![WYW WYW](https://data.pdbj.org/pdbjplus/data/cc/svg/WYW.svg) | WYW | Name: | triazophos | Formula: | C12 H16 N3 O3 P S | SMILES: | CCOP(=S)(OCC)Oc1ncn(n1)c1ccccc1 | InChi: | InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 | Synonyms: | O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) phosphorothioate | Definition date: | 2022-10-24 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) phosphorothioate |
|
![WZ0 WZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/WZ0.svg) | WZ0 | Name: | coumaphos | Formula: | C14 H16 Cl O5 P S | SMILES: | CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C | InChi: | InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3 | Synonyms: | O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate | Definition date: | 2022-10-24 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate |
|
![VLO VLO](https://data.pdbj.org/pdbjplus/data/cc/svg/VLO.svg) | VLO | Name: | [[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C20 H27 N9 O21 P4 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC=Nc56 | InChi: | InChI=1S/C20H27N9O21P4/c21-20-26-15-9(17(34)27-20)25-5-29(15)19-13(11(31)7(47-19)2-45-53(40,41)50-54(42,43)49-51(35,36)37)48-52(38,39)44-1-6-10(30)12(32)18(46-6)28-4-24-8-14(28)22-3-23-16(8)33/h3-7,10-13,18-19,30-32H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H,22,23,33)(H2,35,36,37)(H3,21,26,27,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | Definition date: | 2022-08-30 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | [[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
|