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136

Summary
Name:N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE
Formula:C15 H13 Cl I N3 O2
Formal charge:0
Formula weight:429.64 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(4-carbamimidoyl-3-chlorophenyl)-2-hydroxy-3-iodo-5-methylbenzamide
OpenEye OEToolkits1.5.0N-(4-carbamimidoyl-3-chloro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(ccc1C(=[N@H])N)NC(=O)c2cc(cc(I)c2O)C
SMILES_CANONICALCACTVS3.341Cc1cc(I)c(O)c(c1)C(=O)Nc2ccc(C(N)=N)c(Cl)c2
SMILESCACTVS3.341Cc1cc(I)c(O)c(c1)C(=O)Nc2ccc(C(N)=N)c(Cl)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N
SMILESOpenEye OEToolkits1.5.0[H]N=C(c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)N
InChIInChI1.03InChI=1S/C15H13ClIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
InChIKeyInChI1.03QKGFTDAISIBIBV-UHFFFAOYSA-N

222415

数据于2024-07-10公开中

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