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Z67

概要
表記:4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
組成式:C16 H13 F2 N5 O3 S2
電荷:0
化学式量:425.433 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.014-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
OpenEye OEToolkits1.7.04-azanyl-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01Fc1cccc(F)c1NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
SMILES_CANONICALCACTVS3.370Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F
SMILESCACTVS3.370Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F
SMILESOpenEye OEToolkits1.7.0c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F
InChIInChI1.03InChI=1S/C16H13F2N5O3S2/c17-10-2-1-3-11(18)12(10)22-15(24)13-14(19)23-16(27-13)21-8-4-6-9(7-5-8)28(20,25)26/h1-7H,19H2,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyInChI1.03FQEUBNKUJIJESK-UHFFFAOYSA-N

219869

件を2024-05-15に公開中

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