 | | K04 | | Name: | (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name) | | Formula: | C8 H11 N3 O2 S | | SMILES: | n2cc(NC(C1OCCC1C)=O)sn2 | | InChi: | InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7-/m0/s1 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name) |
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 | | K07 | | Name: | 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine | | Formula: | C10 H14 Cl N3 O | | SMILES: | n2c(N(CC1COCC1)C)c(cnc2)Cl | | InChi: | InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m1/s1 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine |
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 | | K0A | | Name: | (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone | | Formula: | C10 H14 N2 O S | | SMILES: | N1(CCCC1)C(=O)c2c(sc(n2)C)C | | InChi: | InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone |
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 | | K0D | | Name: | [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone | | Formula: | C9 H13 N3 O2 S | | SMILES: | n2cc(C(N1C(C)COC(C)C1)=O)ns2 | | InChi: | InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone |
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 | | K0G | | Name: | N-phenyl-N'-pyridin-3-ylurea | | Formula: | C12 H11 N3 O | | SMILES: | N(c1cccnc1)C(Nc2ccccc2)=O | | InChi: | InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N-phenyl-N'-pyridin-3-ylurea |
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 | | K0J | | Name: | N-ethyl-1H-1,2,3-triazole-4-carboxamide | | Formula: | C5 H8 N4 O | | SMILES: | n1nnc(c1)C(NCC)=O | | InChi: | InChI=1S/C5H8N4O/c1-2-6-5(10)4-3-7-9-8-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N-ethyl-1H-1,2,3-triazole-4-carboxamide |
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 | | K0M | | Name: | 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide | | Formula: | C9 H10 N4 O2 | | SMILES: | N(c1nn(cc1)C)C(c2onc(C)c2)=O | | InChi: | InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide |
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 | | K0P | | Name: | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide | | Formula: | C12 H14 N4 O | | SMILES: | N(Cc1cnn(c1)CC)C(c2cnccc2)=O | | InChi: | InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide |
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 | | DZB | | Name: | N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide | | Formula: | C17 H15 N3 O2 S | | SMILES: | Oc1nsnc1C(=O)NCC(c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C17H15N3O2S/c21-16(15-17(22)20-23-19-15)18-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,18,21)(H,20,22) | | Definition date: | 2018-02-06 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | ~{N}-(2,2-diphenylethyl)-4-oxidanyl-1,2,5-thiadiazole-3-carboxamide |
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 | | E2N | | Name: | 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid | | Formula: | C13 H11 F3 N2 O4 | | SMILES: | Cn1nc(O)c(C(O)=O)c1COc2cccc(c2)C(F)(F)F | | InChi: | InChI=1S/C13H11F3N2O4/c1-18-9(10(12(20)21)11(19)17-18)6-22-8-4-2-3-7(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,19)(H,20,21) | | Definition date: | 2018-02-14 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid |
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 | | EAU | | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide | | Formula: | C16 H21 N7 O2 | | SMILES: | NC(=N)NC(=O)c1nc(c2occc2)c(nc1N)N3CCCCCC3 | | InChi: | InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-6-5-9-25-10)14(21-13)23-7-3-1-2-4-8-23/h5-6,9H,1-4,7-8H2,(H2,17,21)(H4,18,19,22,24) | | Definition date: | 2018-02-15 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide |
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 | | FKE | | Name: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide | | Formula: | C18 H20 N2 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3 | | InChi: | InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23) | | Definition date: | 2018-07-17 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide |
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 | | FKK | | Name: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide | | Formula: | C18 H20 F N3 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)Cc3ccc(F)cc3 | | InChi: | InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25) | | Definition date: | 2018-07-17 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide |
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 | | FKQ | | Name: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide | | Formula: | C18 H20 N2 O4 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(O)(CC2)c3ccccc3 | | InChi: | InChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24) | | Definition date: | 2018-07-18 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide |
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 | | FWH | | Name: | 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole | | Formula: | C25 H20 N2 | | SMILES: | Cn1c2ccccc2c3cc(ccc13)C(=C)c4cc(C)nc5ccccc45 | | InChi: | InChI=1S/C25H20N2/c1-16-14-21(19-8-4-6-10-23(19)26-16)17(2)18-12-13-25-22(15-18)20-9-5-7-11-24(20)27(25)3/h4-15H,2H2,1,3H3 | | Definition date: | 2018-08-03 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole |
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 | | 09I | | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide | | Formula: | C20 H22 F N7 O2 | | SMILES: | NC(=N)NC(=O)c1nc(c2oc3cccc(F)c3c2)c(nc1N)N4CCCCCC4 | | InChi: | InChI=1S/C20H22FN7O2/c21-12-6-5-7-13-11(12)10-14(30-13)15-18(28-8-3-1-2-4-9-28)26-17(22)16(25-15)19(29)27-20(23)24/h5-7,10H,1-4,8-9H2,(H2,22,26)(H4,23,24,27,29) | | Definition date: | 2018-02-16 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide |
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 | | 50I | | Name: | 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide | | Formula: | C20 H23 N7 O2 | | SMILES: | NC(=N)NC(=O)c1nc(c2oc3ccccc3c2)c(nc1N)N4CCCCCC4 | | InChi: | InChI=1S/C20H23N7O2/c21-17-16(19(28)26-20(22)23)24-15(14-11-12-7-3-4-8-13(12)29-14)18(25-17)27-9-5-1-2-6-10-27/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,21,25)(H4,22,23,26,28) | | Definition date: | 2018-02-15 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-~{N}-carbamimidoyl-pyrazine-2-carboxamide |
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 | | K0V | | Name: | methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate | | Formula: | C12 H22 N2 O3 | | SMILES: | N(C(C)(C)C)C(=O)N1CCC(CC1)C(OC)=O | | InChi: | InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate |
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 | | K0Y | | Name: | methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate | | Formula: | C8 H10 N2 O4 | | SMILES: | n1c(C(NCC(OC)=O)=O)cc(C)o1 | | InChi: | InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate |
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 | | K1A | | Name: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one | | Formula: | C9 H11 N3 O2 S | | SMILES: | N1(C(SC(=N1)C)=O)Cc2c(C)noc2C | | InChi: | InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one |
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 | | K1D | | Name: | 6-(azetidin-1-yl)-9H-purine | | Formula: | C8 H9 N5 | | SMILES: | n2cnc1ncnc1c2N3CCC3 | | InChi: | InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 6-(azetidin-1-yl)-9H-purine |
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 | | K1G | | Name: | N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C10 H15 N5 | | SMILES: | n1cnc2n(C)ncc2c1N(C)C(C)C | | InChi: | InChI=1S/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | K1J | | Name: | (2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | | Formula: | C9 H15 N3 O S | | SMILES: | n1c(snc1C)N2C(C)C(C)OCC2 | | InChi: | InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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 | | K1S | | Name: | N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Formula: | C10 H15 N5 | | SMILES: | n1c(cc(n2ncnc12)N(CC)CC)C | | InChi: | InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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 | | K1V | | Name: | (3R)-1-acetylpiperidine-3-carboxamide | | Formula: | C8 H14 N2 O2 | | SMILES: | NC(C1CCCN(C1)C(C)=O)=O | | InChi: | InChI=1S/C8H14N2O2/c1-6(11)10-4-2-3-7(5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)/t7-/m1/s1 | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (3R)-1-acetylpiperidine-3-carboxamide |
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