![908 908](https://data.pdbj.org/pdbjplus/data/cc/svg/908.svg) | 908 | Name: | 4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide | Formula: | C27 H30 N4 O4 | SMILES: | COc1ccc(cc1c2ccc(cc2)C(=O)NCC(N)=O)C3=NN(C(C)C)C(=O)[CH]4CC=CC[CH]34 | InChi: | InChI=1S/C27H30N4O4/c1-16(2)31-27(34)21-7-5-4-6-20(21)25(30-31)19-12-13-23(35-3)22(14-19)17-8-10-18(11-9-17)26(33)29-15-24(28)32/h4-5,8-14,16,20-21H,6-7,15H2,1-3H3,(H2,28,32)(H,29,33)/t20-,21+/m0/s1 | Definition date: | 2016-06-08 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide |
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![92H 92H](https://data.pdbj.org/pdbjplus/data/cc/svg/92H.svg) | 92H | Name: | ~{N}-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide | Formula: | C30 H37 N3 O | SMILES: | CN(C)CCN(C[CH]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4 | InChi: | InChI=1S/C30H37N3O/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3/t23-/m1/s1 | Definition date: | 2017-04-07 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | ~{N}-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide |
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![AAK AAK](https://data.pdbj.org/pdbjplus/data/cc/svg/AAK.svg) | AAK | Name: | ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | Formula: | C16 H22 N2 O3 | SMILES: | CCC(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc12 | InChi: | InChI=1S/C16H22N2O3/c1-5-14(19)17-10-11-18(15(20)21-16(2,3)4)13-9-7-6-8-12(13)17/h6-9H,5,10-11H2,1-4H3 | Definition date: | 2017-08-18 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate |
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![AEQ AEQ](https://data.pdbj.org/pdbjplus/data/cc/svg/AEQ.svg) | AEQ | Name: | methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate | Formula: | C14 H17 N O3 | SMILES: | CCC(=O)N1CCCc2cc(ccc12)C(=O)OC | InChi: | InChI=1S/C14H17NO3/c1-3-13(16)15-8-4-5-10-9-11(14(17)18-2)6-7-12(10)15/h6-7,9H,3-5,8H2,1-2H3 | Definition date: | 2017-08-18 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate |
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![8G3 8G3](https://data.pdbj.org/pdbjplus/data/cc/svg/8G3.svg) | 8G3 | Name: | 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol | Formula: | C14 H13 N7 O | SMILES: | Cc1cc2nc(CCc3nn4cccnc4n3)cc(O)n2n1 | InChi: | InChI=1S/C14H13N7O/c1-9-7-12-16-10(8-13(22)21(12)18-9)3-4-11-17-14-15-5-2-6-20(14)19-11/h2,5-8,22H,3-4H2,1H3 | Definition date: | 2017-07-03 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol |
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![8G6 8G6](https://data.pdbj.org/pdbjplus/data/cc/svg/8G6.svg) | 8G6 | Name: | 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine | Formula: | C13 H10 Cl N3 | SMILES: | Cc1cc2nccc(n2n1)c3ccc(Cl)cc3 | InChi: | InChI=1S/C13H10ClN3/c1-9-8-13-15-7-6-12(17(13)16-9)10-2-4-11(14)5-3-10/h2-8H,1H3 | Definition date: | 2017-07-03 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine |
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![9A8 9A8](https://data.pdbj.org/pdbjplus/data/cc/svg/9A8.svg) | 9A8 | Name: | 2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one | Formula: | C17 H16 N2 O2 | SMILES: | CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C17H16N2O2/c1-11(2)21-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11H,1-2H3,(H,18,19,20) | Definition date: | 2017-05-02 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one |
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![9AN 9AN](https://data.pdbj.org/pdbjplus/data/cc/svg/9AN.svg) | 9AN | Name: | 2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one | Formula: | C14 H10 N2 O2 | SMILES: | Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18) | Definition date: | 2017-05-04 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one |
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![9AQ 9AQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9AQ.svg) | 9AQ | Name: | 2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one | Formula: | C16 H14 N2 O2 | SMILES: | CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19) | Definition date: | 2017-05-04 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one |
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![9AW 9AW](https://data.pdbj.org/pdbjplus/data/cc/svg/9AW.svg) | 9AW | Name: | 2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one | Formula: | C19 H13 N3 O | SMILES: | O=C1NC(=Nc2ccccc12)c3ccc(cc3)c4ccccn4 | InChi: | InChI=1S/C19H13N3O/c23-19-15-5-1-2-7-17(15)21-18(22-19)14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,22,23) | Definition date: | 2017-05-04 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one |
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![9AX 9AX](https://data.pdbj.org/pdbjplus/data/cc/svg/9AX.svg) | 9AX | Name: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate | Formula: | C20 H36 O7 P2 | SMILES: | O=P(O)(OP(=O)(O)O)OC[C@H]=C(CCC2(C)C(CC=C1C(C)(C)CCCC12)C)C | InChi: | InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18H,6-8,10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t16-,18+,20+/m0/s1 | Definition date: | 2018-02-26 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate |
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![9B2 9B2](https://data.pdbj.org/pdbjplus/data/cc/svg/9B2.svg) | 9B2 | Name: | 2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one | Formula: | C19 H19 N3 O | SMILES: | O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCCCC4 | InChi: | InChI=1S/C19H19N3O/c23-19-16-6-2-3-7-17(16)20-18(21-19)14-8-10-15(11-9-14)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2,(H,20,21,23) | Definition date: | 2017-05-04 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one |
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![9C8 9C8](https://data.pdbj.org/pdbjplus/data/cc/svg/9C8.svg) | 9C8 | Name: | 2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one | Formula: | C18 H19 N3 O | SMILES: | CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C18H19N3O/c1-3-21(4-2)14-11-9-13(10-12-14)17-19-16-8-6-5-7-15(16)18(22)20-17/h5-12H,3-4H2,1-2H3,(H,19,20,22) | Definition date: | 2017-05-05 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one |
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![9CB 9CB](https://data.pdbj.org/pdbjplus/data/cc/svg/9CB.svg) | 9CB | Name: | 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one | Formula: | C17 H16 Cl N3 O2 | SMILES: | CN(CCO)c1ccc(cc1)C2=Nc3cc(Cl)ccc3C(=O)N2 | InChi: | InChI=1S/C17H16ClN3O2/c1-21(8-9-22)13-5-2-11(3-6-13)16-19-15-10-12(18)4-7-14(15)17(23)20-16/h2-7,10,22H,8-9H2,1H3,(H,19,20,23) | Definition date: | 2017-05-05 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one |
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![9FG 9FG](https://data.pdbj.org/pdbjplus/data/cc/svg/9FG.svg) | 9FG | Name: | 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile | Formula: | C12 H9 F N2 O | SMILES: | C(c1n(c(cc1)c2c(F)cc(cc2)O)C)#N | InChi: | InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3 | Definition date: | 2017-05-04 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile |
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![E3A E3A](https://data.pdbj.org/pdbjplus/data/cc/svg/E3A.svg) | E3A | Name: | 1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione | Formula: | C19 H17 F N4 O4 | SMILES: | N4(CC3C(c1nn(cc1)c2ccc(cc2)F)C3C4)C(ON5C(CCC5=O)=O)=O | InChi: | InChI=1S/C19H17FN4O4/c20-11-1-3-12(4-2-11)23-8-7-15(21-23)18-13-9-22(10-14(13)18)19(27)28-24-16(25)5-6-17(24)26/h1-4,7-8,13-14,18H,5-6,9-10H2/t13-,14+,18+ | Definition date: | 2017-11-29 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione |
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![6VK 6VK](https://data.pdbj.org/pdbjplus/data/cc/svg/6VK.svg) | 6VK | Name: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one | Formula: | C22 H25 N3 O | SMILES: | CC1(C)CC(=O)C2=C(C1)Nc3n[nH]c(C4CC4)c3[C]2(C)c5ccccc5 | InChi: | InChI=1S/C22H25N3O/c1-21(2)11-15-17(16(26)12-21)22(3,14-7-5-4-6-8-14)18-19(13-9-10-13)24-25-20(18)23-15/h4-8,13H,9-12H2,1-3H3,(H2,23,24,25)/t22-/m1/s1 | Definition date: | 2016-07-05 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one |
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![6VL 6VL](https://data.pdbj.org/pdbjplus/data/cc/svg/6VL.svg) | 6VL | Name: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one | Formula: | C20 H23 N3 O | SMILES: | CC[C]1(c2ccccc2)c3c[nH]nc3NC4=C1C(=O)CC(C)(C)C4 | InChi: | InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1 | Definition date: | 2016-07-05 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one |
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![6VM 6VM](https://data.pdbj.org/pdbjplus/data/cc/svg/6VM.svg) | 6VM | Name: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one | Formula: | C24 H31 N3 O | SMILES: | CC(C)(C)Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C](C)(c4ccccc4)c12 | InChi: | InChI=1S/C24H31N3O/c1-22(2,3)12-17-20-21(27-26-17)25-16-13-23(4,5)14-18(28)19(16)24(20,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H2,25,26,27)/t24-/m1/s1 | Definition date: | 2016-07-05 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one |
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![E9Q E9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/E9Q.svg) | E9Q | Name: | 5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile | Formula: | C8 H11 N5 | SMILES: | Nc1[nH]nc(N2CCCC2)c1C#N | InChi: | InChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12) | Definition date: | 2018-03-07 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile |
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![ENJ ENJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ENJ.svg) | ENJ | Name: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid | Formula: | C12 H16 N O11 P S3 | SMILES: | O=C(C1=CN(C=C(C=S)C1S(=O)(=O)O)C2OC(C(C2O)O)COP(O)(O)=O)S | InChi: | InChI=1S/C12H16NO11PS3/c14-8-7(3-23-25(17,18)19)24-11(9(8)15)13-1-5(4-26)10(28(20,21)22)6(2-13)12(16)27/h1-2,4,7-11,14-15H,3H2,(H,16,27)(H2,17,18,19)(H,20,21,22)/t7-,8-,9-,10-,11-/m1/s1 | Definition date: | 2018-01-23 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid |
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![EXD EXD](https://data.pdbj.org/pdbjplus/data/cc/svg/EXD.svg) | EXD | Name: | 2-(trifluoromethyl)-1H-benzimidazol-7-ol | Formula: | C8 H5 F3 N2 O | SMILES: | c1c(c2nc(C(F)(F)F)nc2cc1)O | InChi: | InChI=1S/C8H5F3N2O/c9-8(10,11)7-12-4-2-1-3-5(14)6(4)13-7/h1-3,14H,(H,12,13) | Definition date: | 2018-02-08 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 2-(trifluoromethyl)-1H-benzimidazol-7-ol |
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![EXG EXG](https://data.pdbj.org/pdbjplus/data/cc/svg/EXG.svg) | EXG | Name: | 1-benzyl-1H-imidazo[4,5-b]pyridine | Formula: | C13 H11 N3 | SMILES: | c1(ccccc1)Cn3c2cccnc2nc3 | InChi: | InChI=1S/C13H11N3/c1-2-5-11(6-3-1)9-16-10-15-13-12(16)7-4-8-14-13/h1-8,10H,9H2 | Definition date: | 2018-02-08 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 1-benzyl-1H-imidazo[4,5-b]pyridine |
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![EXJ EXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/EXJ.svg) | EXJ | Name: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile | Formula: | C15 H13 Cl N6 O | SMILES: | C1(C)=Nc3n(C(C1)=O)nc(NC(CC#N)c2cc(Cl)ccc2)n3 | InChi: | InChI=1S/C15H13ClN6O/c1-9-7-13(23)22-15(18-9)20-14(21-22)19-12(5-6-17)10-3-2-4-11(16)8-10/h2-4,8,12H,5,7H2,1H3,(H,19,21)/t12-/m1/s1 | Definition date: | 2018-02-08 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile |
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![EXP EXP](https://data.pdbj.org/pdbjplus/data/cc/svg/EXP.svg) | EXP | Name: | 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one | Formula: | C13 H12 Br N5 O | SMILES: | c12nc(nn1C(CC(C)=N2)=O)NCc3cc(ccc3)Br | InChi: | InChI=1S/C13H12BrN5O/c1-8-5-11(20)19-13(16-8)17-12(18-19)15-7-9-3-2-4-10(14)6-9/h2-4,6H,5,7H2,1H3,(H,15,18) | Definition date: | 2018-02-08 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one |
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