 | | 355 | | Name: | trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide | | Formula: | C33 H33 N5 O4 | | SMILES: | O=C(NCc1ccccc1)C2CCC(CC2)CN4C(=O)c3c(cccc3)N(C4=O)CC=5N=C6C=CC=C(N6C(=O)C=5)C | | InChi: | InChI=1S/C33H33N5O4/c1-22-8-7-13-29-35-26(18-30(39)38(22)29)21-36-28-12-6-5-11-27(28)32(41)37(33(36)42)20-24-14-16-25(17-15-24)31(40)34-19-23-9-3-2-4-10-23/h2-13,18,24-25H,14-17,19-21H2,1H3,(H,34,40)/t24-,25- | | Definition date: | 2014-06-18 | | Last modified: | 2015-05-15 | | Release date: | 2015-05-20 | | Identifier: | trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide |
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 | | 4GD | | Name: | N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C17 H14 N6 O | | SMILES: | N(c1n(nc(c1)C)c2ccccc2)C(=O)c3cnn4c3nccc4 | | InChi: | InChI=1S/C17H14N6O/c1-12-10-15(23(21-12)13-6-3-2-4-7-13)20-17(24)14-11-19-22-9-5-8-18-16(14)22/h2-11H,1H3,(H,20,24) | | Definition date: | 2015-03-17 | | Last modified: | 2015-05-15 | | Release date: | 2015-05-20 | | Identifier: | N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | 4GF | | Name: | N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C27 H30 F N7 O | | SMILES: | N(c1n(nc(c1)C2CCN(C(C)C)CC2)c3c(F)cc(cc3)C4CC4)C(=O)c5cnn6c5nccc6 | | InChi: | InChI=1S/C27H30FN7O/c1-17(2)33-12-8-19(9-13-33)23-15-25(31-27(36)21-16-30-34-11-3-10-29-26(21)34)35(32-23)24-7-6-20(14-22(24)28)18-4-5-18/h3,6-7,10-11,14-19H,4-5,8-9,12-13H2,1-2H3,(H,31,36) | | Definition date: | 2015-03-17 | | Last modified: | 2015-05-15 | | Release date: | 2015-05-20 | | Identifier: | N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | RKM | | Name: | (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium | | Formula: | C39 H24 N12 Ru | | SMILES: | n3c2ccc1nccnc1c2n(cc3)[Ru]9(n5c4c8c(c6nc7c(nc6c4ccc5)ccc(c7)C)cccn89)nccc(nccn)cccncc | | InChi: | InChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-6-7-14-15(10-11)23-19-13-5-3-9-21-17(13)16-12(18(19)22-14)4-2-8-20-16 | | Definition date: | 2014-11-25 | | Last modified: | 2015-05-08 | | Release date: | 2015-05-13 | | Identifier: | (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium |
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 | | 3WB | | Name: | (10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium | | Formula: | C40 H26 N12 Ru | | SMILES: | n3c2ccc1nccnc1c2n(cc3)[Ru]9(n5c4c8c(c6nc7c(nc6c4ccc5)cc(cc7C)C)cccn89)nccc(nccn)cccncc | | InChi: | InChI=1S/C20H14N4.2C10H6N4.Ru/c1-11-9-12(2)16-15(10-11)23-19-13-5-3-7-21-17(13)18-14(20(19)24-16)6-4-8-22-18 | | Definition date: | 2014-11-25 | | Last modified: | 2015-05-08 | | Release date: | 2015-05-13 | | Identifier: | (10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium |
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 | | 0A | | Name: | L-ADENOSINE-5'-MONOPHOSPHATE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1 | | Definition date: | 2009-07-27 | | Last modified: | 2015-04-24 | | Release date: | 2015-04-29 | | Identifier: | 9-(5-O-phosphono-beta-L-ribofuranosyl)-9H-purin-6-amine |
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 | | 4GK | | Name: | 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline | | Formula: | C20 H19 N7 | | SMILES: | Cn3c2ccc1ncccc1c2nc3CCc4nc5n(n4)c(C)cnc5C | | InChi: | InChI=1S/C20H19N7/c1-12-11-22-13(2)20-23-17(25-27(12)20)8-9-18-24-19-14-5-4-10-21-15(14)6-7-16(19)26(18)3/h4-7,10-11H,8-9H2,1-3H3 | | Definition date: | 2015-03-17 | | Last modified: | 2015-04-24 | | Release date: | 2015-04-29 | | Identifier: | 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline |
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 | | 558 | | Name: | 5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine | | Formula: | C23 H21 Cl N6 | | SMILES: | c1cc(N)ncc1c3cc2N(CC(c4n(c2cc3)c(C)nn4)C)c5ccc(Cl)cc5 | | InChi: | InChI=1S/C23H21ClN6/c1-14-13-29(19-7-5-18(24)6-8-19)21-11-16(17-4-10-22(25)26-12-17)3-9-20(21)30-15(2)27-28-23(14)30/h3-12,14H,13H2,1-2H3,(H2,25,26)/t14-/m1/s1 | | Definition date: | 2015-03-27 | | Last modified: | 2015-04-03 | | Release date: | 2015-04-08 | | Identifier: | 5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine |
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 | | 559 | | Name: | 5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine | | Formula: | C23 H21 Cl N6 | | SMILES: | c1c(cnc(c1)N)c2ccc3c(c2)N(CC(c4n3c(C)nn4)C)c5ccc(cc5)Cl | | InChi: | InChI=1S/C23H21ClN6/c1-14-13-29(19-7-5-18(24)6-8-19)21-11-16(17-4-10-22(25)26-12-17)3-9-20(21)30-15(2)27-28-23(14)30/h3-12,14H,13H2,1-2H3,(H2,25,26)/t14-/m0/s1 | | Definition date: | 2015-03-30 | | Last modified: | 2015-04-03 | | Release date: | 2015-04-08 | | Identifier: | 5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine |
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 | | 2K9 | | Name: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one | | Formula: | C19 H11 N3 O | | SMILES: | O=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45 | | InChi: | InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H | | Definition date: | 2013-11-14 | | Last modified: | 2015-03-20 | | Release date: | 2015-03-25 | | Identifier: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one |
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 | | 44X | | Name: | 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline | | Formula: | C24 H22 F N5 O3 | | SMILES: | Fc4cc(cn1c4nnc1C(c3cc2cc(OCCOC)cnc2cc3)C)c5onc(c5)C | | InChi: | InChI=1S/C24H22FN5O3/c1-14-8-22(33-29-14)18-11-20(25)24-28-27-23(30(24)13-18)15(2)16-4-5-21-17(9-16)10-19(12-26-21)32-7-6-31-3/h4-5,8-13,15H,6-7H2,1-3H3/t15-/m0/s1 | | Definition date: | 2015-02-05 | | Last modified: | 2015-03-06 | | Release date: | 2015-03-11 | | Identifier: | 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline |
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 | | 46G | | Name: | 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline | | Formula: | C22 H17 F2 N5 O2 | | SMILES: | Fc4cc(cn1c4nnc1C(F)(c3cc2cc(OC)cnc2cc3)C)c5onc(c5)C | | InChi: | InChI=1S/C22H17F2N5O2/c1-12-6-19(31-28-12)14-9-17(23)20-26-27-21(29(20)11-14)22(2,24)15-4-5-18-13(7-15)8-16(30-3)10-25-18/h4-11H,1-3H3/t22-/m1/s1 | | Definition date: | 2015-02-10 | | Last modified: | 2015-03-06 | | Release date: | 2015-03-11 | | Identifier: | 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline |
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 | | YAP | | Name: | 5'-O-[(R)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine | | Formula: | C19 H23 N6 O9 P | | SMILES: | C(=O)(C(N)Cc1ccc(O)cc1)OP(=O)(O)OCC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)O | | InChi: | InChI=1S/C19H23N6O9P/c20-11(5-9-1-3-10(26)4-2-9)19(29)34-35(30,31)32-6-12-14(27)15(28)18(33-12)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1 | | Definition date: | 2011-09-07 | | Last modified: | 2015-03-05 | | Identifier: | 5'-O-[(R)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | 40Z | | Name: | 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide | | Formula: | C25 H26 Cl N3 O3 | | SMILES: | O=C(N)c2cc3N(CCc4c(c1C(=O)CC(C)(C)Cc1n4c3cc2Cl)C)Cc5occc5 | | InChi: | InChI=1S/C25H26ClN3O3/c1-14-18-6-7-28(13-15-5-4-8-32-15)19-9-16(24(27)31)17(26)10-20(19)29(18)21-11-25(2,3)12-22(30)23(14)21/h4-5,8-10H,6-7,11-13H2,1-3H3,(H2,27,31) | | Definition date: | 2015-01-08 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide |
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 | | 1TR | | Name: | 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine | | Formula: | C20 H19 F N6 | | SMILES: | Fc4ccc(c1nc3cc(ccn3c1c2nc(ncc2)N)CN(C)C)cc4 | | InChi: | InChI=1S/C20H19FN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24) | | Definition date: | 2014-02-14 | | Last modified: | 2015-02-27 | | Release date: | 2015-03-04 | | Identifier: | 4-{7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine |
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 | | O23 | | Name: | N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | | Formula: | C21 H19 N5 O S | | SMILES: | O=C(NC1CC1)c2ccc(cc2)c3cnc4c(nccn34)NCc5sccc5 | | InChi: | InChI=1S/C21H19N5OS/c27-21(25-16-7-8-16)15-5-3-14(4-6-15)18-13-24-20-19(22-9-10-26(18)20)23-12-17-2-1-11-28-17/h1-6,9-11,13,16H,7-8,12H2,(H,22,23)(H,25,27) | | Definition date: | 2014-10-02 | | Last modified: | 2015-02-06 | | Release date: | 2015-02-11 | | Identifier: | N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide |
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 | | BUF | | Name: | bufalin | | Formula: | C24 H34 O4 | | SMILES: | O=C1OC=C(C=C1)C4C3(C)CCC2C5(C)CCC(O)CC5CCC2C3(O)CC4 | | InChi: | InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1 | | Definition date: | 2014-09-24 | | Last modified: | 2015-01-23 | | Release date: | 2015-01-28 | | Identifier: | (3beta,5beta,10alpha,17alpha)-3,14-dihydroxybufa-20,22-dienolide |
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 | | 3V6 | | Name: | Bactobolin A | | Formula: | C15 H22 Cl2 N2 O5 | | SMILES: | ClC(Cl)C2(OC(=O)C1=C(O)CC(C(O)C1C2NC(=O)C(N)C)C)C | | InChi: | InChI=1S/C15H22Cl2N2O5/c1-5-4-7(20)8-9(10(5)21)11(19-12(22)6(2)18)15(3,14(16)17)24-13(8)23/h5-6,9-11,14,20-21H,4,18H2,1-3H3,(H,19,22)/t5-,6+,9+,10+,11-,15+/m1/s1 | | Definition date: | 2014-11-11 | | Last modified: | 2015-01-16 | | Release date: | 2015-01-21 | | Identifier: | N-[(3S,4R,4aR,5S,6R)-3-(dichloromethyl)-5,8-dihydroxy-3,6-dimethyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-L-alaninamide |
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 | | 3K6 | | Name: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide | | Formula: | C22 H24 N6 O2 S | | SMILES: | O=S(=O)(N(C)C)c5ccc(c1c4n(nc1)CC(N(c3ccnc2nccc23)C4)C)cc5 | | InChi: | InChI=1S/C22H24N6O2S/c1-15-13-28-21(14-27(15)20-9-11-24-22-18(20)8-10-23-22)19(12-25-28)16-4-6-17(7-5-16)31(29,30)26(2)3/h4-12,15H,13-14H2,1-3H3,(H,23,24)/t15-/m1/s1 | | Definition date: | 2014-08-29 | | Last modified: | 2014-12-26 | | Release date: | 2014-12-31 | | Identifier: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide |
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 | | RLB | | Name: | Lambda-[Ru(bpy)2dppz]2+ | | Formula: | C38 H26 N8 Ru | | SMILES: | n1c3c9c8c4c(c3nc2c1cccc2)cccn4[Ru]7%12(n5ccccc5c6ccccn67)(n8ccc9)n%10ccccc%10c%11ccccn%11%12 | | InChi: | InChI=1S/C18H10N4.2C10H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16 | | Definition date: | 2013-02-14 | | Last modified: | 2014-12-19 | | Release date: | 2014-12-24 | | Identifier: | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)ruthenium |
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 | | 3G6 | | Name: | (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) | | Formula: | C22 H32 O3 | | SMILES: | O=C(O)C(C)C4CCC3C2C(C1(C(=CC(=O)CC1)CC2)C)CCC34C | | InChi: | InChI=1S/C22H32O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h12-13,16-19H,4-11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1 | | Definition date: | 2014-08-14 | | Last modified: | 2014-12-12 | | Release date: | 2014-12-17 | | Identifier: | (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) |
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 | | 3WE | | Name: | (2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one | | Formula: | C15 H14 Br N5 O | | SMILES: | Brc2c1ccccc1n3c2C(=O)N5C4(NC(=[N@H])NC34)CCC5 | | InChi: | InChI=1S/C15H14BrN5O/c16-10-8-4-1-2-5-9(8)21-11(10)12(22)20-7-3-6-15(20)13(21)18-14(17)19-15/h1-2,4-5,13H,3,6-7H2,(H3,17,18,19)/t13-,15+/m0/s1 | | Definition date: | 2014-11-25 | | Last modified: | 2014-12-05 | | Release date: | 2014-12-10 | | Identifier: | (2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one |
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 | | T0T | | Name: | (1R)-1-{4-[(E)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-O-phosphonato-D-erythro-pentitol | | Formula: | C19 H22 N O6 P | | SMILES: | O=P(O)(OCC3OC(c2ccc(C=Cc1ccccc1N)cc2)CC3O)O | | InChi: | InChI=1S/C19H22NO6P/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)18-11-17(21)19(26-18)12-25-27(22,23)24/h1-10,17-19,21H,11-12,20H2,(H2,22,23,24)/b8-5+/t17-,18+,19+/m0/s1 | | Definition date: | 2014-06-24 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 | | Identifier: | (1R)-1-{4-[(E)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol |
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 | | RBQ | | Name: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one | | Formula: | C17 H25 F3 N4 O3 | | SMILES: | FC(F)(F)C3N(C2=NC(N1CCOCC1)=CC(=O)N2CC3)CCOC(C)C | | InChi: | InChI=1S/C17H25F3N4O3/c1-12(2)27-10-7-23-13(17(18,19)20)3-4-24-15(25)11-14(21-16(23)24)22-5-8-26-9-6-22/h11-13H,3-10H2,1-2H3/t13-/m0/s1 | | Definition date: | 2014-08-12 | | Last modified: | 2014-11-21 | | Release date: | 2014-11-26 | | Identifier: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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 | | EUT | | Name: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one | | Formula: | C18 H17 F5 N4 O2 | | SMILES: | Fc1cc(cc(F)c1)N4C3=NC(N2CCOCC2)=CC(=O)N3CCC4C(F)(F)F | | InChi: | InChI=1S/C18H17F5N4O2/c19-11-7-12(20)9-13(8-11)27-14(18(21,22)23)1-2-26-16(28)10-15(24-17(26)27)25-3-5-29-6-4-25/h7-10,14H,1-6H2/t14-/m0/s1 | | Definition date: | 2014-08-12 | | Last modified: | 2014-11-21 | | Release date: | 2014-11-26 | | Identifier: | (8S)-9-(3,5-difluorophenyl)-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
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