| WRW | 表記: | 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid | 組成式: | C27 H18 O6 | SMILES: | OC(=O)c1ccc(cc1)c2cc(cc(c2)c3ccc(cc3)C(O)=O)c4ccc(cc4)C(O)=O | InChi: | InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33) | 別名: | 1,3,5-Tris(4-carboxyphenyl)benzene | 定義日: | 2023-10-16 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid |
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| WSL | 表記: | (2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol | 組成式: | C15 H14 Cl F N6 O2 | SMILES: | N[CH](CO)Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2 | InChi: | InChI=1S/C15H14ClFN6O2/c16-10-5-13(17)15(19-6-10)25-12-3-1-9(2-4-12)14-20-22-23(21-14)7-11(18)8-24/h1-6,11,24H,7-8,18H2/t11-/m0/s1 | 定義日: | 2023-10-11 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | (2~{S})-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol |
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| ZTA | 表記: | (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde | 組成式: | C15 H10 O3 | SMILES: | O=Cc1c2cc(ccc2ccc1O)c1ccco1 | InChi: | InChI=1S/C15H10O3/c16-9-13-12-8-11(15-2-1-7-18-15)4-3-10(12)5-6-14(13)17/h1-9,17H | 定義日: | 2023-07-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde |
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| WB9 | 表記: | 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-[(1~{R},2~{S},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium | 組成式: | C26 H41 Br N O4 | SMILES: | COc1cc(Br)c(C[N+]2(CCOCC[CH]3CC[CH]4C[CH]3C4(C)C)CCOCC2)cc1OC | InChi: | InChI=1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1/t19-,21+,22+/m0/s1 | 定義日: | 2023-09-22 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-[(1~{R},2~{S},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium |
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| U7F | 表記: | [(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid | 組成式: | C13 H17 F3 N O4 P | SMILES: | CC(C)C[CH](C(=O)Nc1ccc(cc1)C(F)(F)F)[P](O)(O)=O | InChi: | InChI=1S/C13H17F3NO4P/c1-8(2)7-11(22(19,20)21)12(18)17-10-5-3-9(4-6-10)13(14,15)16/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m1/s1 | 定義日: | 2023-01-27 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | [(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid |
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| WU0 | 表記: | 4-[3-(4-carboxyphenyl)phenyl]benzoic acid | 組成式: | C20 H14 O4 | SMILES: | OC(=O)c1ccc(cc1)c2cccc(c2)c3ccc(cc3)C(O)=O | InChi: | InChI=1S/C20H14O4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H,21,22)(H,23,24) | 別名: | [1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid | 定義日: | 2023-10-16 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 4-[3-(4-carboxyphenyl)phenyl]benzoic acid |
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| Y8O | 表記: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | 組成式: | C24 H37 F2 N5 O4 | SMILES: | CC1(C)C2C(C(=O)NC(C=N)CC3CCCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)F)C(C)(C)C | InChi: | InChI=1S/C24H37F2N5O4/c1-23(2,3)17(30-21(34)18(25)26)22(35)31-11-14-15(24(14,4)5)16(31)20(33)29-13(10-27)9-12-7-6-8-28-19(12)32/h10,12-18,27H,6-9,11H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)/b27-10-/t12-,13-,14-,15-,16-,17+/m0/s1 | 定義日: | 2023-01-12 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| XT9 | 表記: | 6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol | 組成式: | C19 H26 N2 O3 | SMILES: | Oc1ccc2CC3N(CCC45C(Oc1c24)C(N)CCC35O)CCC | InChi: | InChI=1S/C19H26N2O3/c1-2-8-21-9-7-18-15-11-3-4-13(22)16(15)24-17(18)12(20)5-6-19(18,23)14(21)10-11/h3-4,12,14,17,22-23H,2,5-10,20H2,1H3/t12-,14+,17+,18-,19-/m1/s1 | 定義日: | 2022-12-07 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol |
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| WEE | 表記: | (2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol | 組成式: | C15 H14 Cl F N6 O2 | SMILES: | N[CH](CO)Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2 | InChi: | InChI=1S/C15H14ClFN6O2/c16-10-5-13(17)15(19-6-10)25-12-3-1-9(2-4-12)14-20-22-23(21-14)7-11(18)8-24/h1-6,11,24H,7-8,18H2/t11-/m1/s1 | 定義日: | 2023-10-04 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | (2~{R})-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol |
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| KKO | 表記: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide | 組成式: | C23 H22 Cl2 N4 O3 S | SMILES: | COc1ccncc1C(=O)N2CCN([CH](C2)C(=O)NCc3sccc3)c4ccc(Cl)c(Cl)c4 | InChi: | InChI=1S/C23H22Cl2N4O3S/c1-32-21-6-7-26-13-17(21)23(31)28-8-9-29(15-4-5-18(24)19(25)11-15)20(14-28)22(30)27-12-16-3-2-10-33-16/h2-7,10-11,13,20H,8-9,12,14H2,1H3,(H,27,30)/t20-/m0/s1 | 定義日: | 2023-08-15 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
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| LN3 | 表記: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid | 組成式: | C40 H52 N6 O17 S | SMILES: | OC(=O)C[CH](NC(=O)[CH](CC(O)=O)NC(=O)[CH](CC(O)=O)NC(=O)CCCCCCCCCCCN(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2ccc(cc2)C(O)=O)C(O)=O | InChi: | InChI=1S/C40H52N6O17S/c47-29(42-25(18-32(50)51)36(58)43-26(19-33(52)53)37(59)44-27(39(62)63)20-34(54)55)10-8-6-4-2-1-3-5-7-9-17-46(22-35(56)57)31(49)16-15-30(48)45-40-41-21-28(64-40)23-11-13-24(14-12-23)38(60)61/h11-14,21,25-27H,1-10,15-20,22H2,(H,42,47)(H,43,58)(H,44,59)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,60,61)(H,62,63)(H,41,45,48)/t25-,26-,27-/m0/s1 | 定義日: | 2023-08-21 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid |
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| BJT | 表記: | [(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate | 組成式: | C26 H56 O34 P4 | SMILES: | OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C26H56O34P4/c27-1-10(29)19(36)12(31)4-53-62(46,47)54-5-14(33)21(38)15(34)6-55-63(48,49)57-8-16(35)22(39)18(60-26-25(42)24(41)23(40)17(2-28)59-26)9-58-64(50,51)56-7-13(32)20(37)11(30)3-52-61(43,44)45/h10-42H,1-9H2,(H,46,47)(H,48,49)(H,50,51)(H2,43,44,45)/t10-,11+,12+,13-,14-,15+,16-,17-,18+,19-,20+,21-,22-,23-,24+,25-,26-/m0/s1 | 定義日: | 2021-12-08 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | [(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate |
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| HI8 | 表記: | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one | 組成式: | C23 H26 N4 O2 | SMILES: | O=C1N=C(NC1(C)c1ccccc1)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C | InChi: | InChI=1S/C23H26N4O2/c1-14(22(2,3)4)27-18-13-15(11-12-17(18)24-21(27)29)19-25-20(28)23(5,26-19)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,24,29)(H,25,26,28)/t14-,23+/m1/s1 | 定義日: | 2023-07-21 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one |
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| FKX | 表記: | 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid | 組成式: | C12 H14 N2 O3 | SMILES: | O=C(O)c1ccc2NC(=O)N(CC(C)C)c2c1 | InChi: | InChI=1S/C12H14N2O3/c1-7(2)6-14-10-5-8(11(15)16)3-4-9(10)13-12(14)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H,15,16) | 定義日: | 2023-07-20 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid |
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| I9V | 表記: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid | 組成式: | C14 H16 Cl N5 O4 S | SMILES: | CC(C)(N[S](=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(O)=O | InChi: | InChI=1S/C14H16ClN5O4S/c1-14(2,12(21)22)20-25(23,24)7-3-4-8-9(5-7)11(19-13(16)17)18-6-10(8)15/h3-6,20H,1-2H3,(H,21,22)(H4,16,17,18,19) | 別名: | UK-371804 | 定義日: | 2022-06-20 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid |
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| IU2 | 表記: | 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine | 組成式: | C12 H10 Cl N5 | SMILES: | CNc1nc(Cl)nc2n(cnc12)c3ccccc3 | InChi: | InChI=1S/C12H10ClN5/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16,17) | 定義日: | 2023-08-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine |
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| IUA | 表記: | 2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine | 組成式: | C13 H12 Cl N5 | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3)cnc12 | InChi: | InChI=1S/C13H12ClN5/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,17,18) | 定義日: | 2023-08-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine |
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| IUH | 表記: | 2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine | 組成式: | C12 H11 Cl N6 | SMILES: | CNc1nc(Cl)nc2n(Cc3ccncc3)cnc12 | InChi: | InChI=1S/C12H11ClN6/c1-14-10-9-11(18-12(13)17-10)19(7-16-9)6-8-2-4-15-5-3-8/h2-5,7H,6H2,1H3,(H,14,17,18) | 定義日: | 2023-08-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine |
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| AV0 | 表記: | Lauryl Maltose Neopentyl Glycol | 組成式: | C47 H88 O22 | SMILES: | C2(C(C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O2)O)OCC(CCCCCCCCCC)(CCCCCCCCCC)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O | InChi: | InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1 | 別名: | 2,2-didecylpropane-1,3-bis-b-D-maltopyranoside | 定義日: | 2018-11-21 | 最終更新日: | 2023-12-01 | 公開日: | 2019-03-27 | 識別子(ID): | 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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| IUQ | 表記: | 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine | 組成式: | C11 H14 Cl N5 O | SMILES: | CNc1nc(Cl)nc2n(cnc12)[CH]3CCCCO3 | InChi: | InChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16) | 定義日: | 2023-08-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine |
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| IUZ | 表記: | 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine | 組成式: | C13 H18 Cl N5 | SMILES: | CNc1nc(Cl)nc2n(CC3CCCCC3)cnc12 | InChi: | InChI=1S/C13H18ClN5/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,17,18) | 定義日: | 2023-08-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine |
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| IV6 | 表記: | 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid | 組成式: | C13 H10 Cl N5 O2 | SMILES: | CNc1nc(Cl)nc2n(cnc12)c3cccc(c3)C(O)=O | InChi: | InChI=1S/C13H10ClN5O2/c1-15-10-9-11(18-13(14)17-10)19(6-16-9)8-4-2-3-7(5-8)12(20)21/h2-6H,1H3,(H,20,21)(H,15,17,18) | 定義日: | 2023-08-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid |
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| IVI | 表記: | 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide | 組成式: | C14 H13 Cl N6 O | SMILES: | CNc1nc(Cl)nc2n(CC(=O)Nc3ccccc3)cnc12 | InChi: | InChI=1S/C14H13ClN6O/c1-16-12-11-13(20-14(15)19-12)21(8-17-11)7-10(22)18-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,22)(H,16,19,20) | 定義日: | 2023-08-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide |
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| IVR | 表記: | 9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine | 組成式: | C13 H13 Cl N6 | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3N)cnc12 | InChi: | InChI=1S/C13H13ClN6/c1-16-11-10-12(19-13(14)18-11)20(7-17-10)6-8-4-2-3-5-9(8)15/h2-5,7H,6,15H2,1H3,(H,16,18,19) | 定義日: | 2023-08-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | 9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine |
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| IW0 | 表記: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide | 組成式: | C14 H15 Cl N6 O2 S | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3N[S](C)(=O)=O)cnc12 | InChi: | InChI=1S/C14H15ClN6O2S/c1-16-12-11-13(19-14(15)18-12)21(8-17-11)7-9-5-3-4-6-10(9)20-24(2,22)23/h3-6,8,20H,7H2,1-2H3,(H,16,18,19) | 定義日: | 2023-08-03 | 最終更新日: | 2023-12-01 | 公開日: | 2023-12-06 | 識別子(ID): | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide |
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