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2S4

Summary
Name:2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide
Formula:C19 H23 N3 O3
Formal charge:0
Formula weight:341.404 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide
OpenEye OEToolkits1.7.62-(3,4-dimethoxyphenyl)-N-[N-[(4-methylphenyl)methyl]carbamimidoyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(=[N@H])NCc1ccc(cc1)C)Cc2cc(OC)c(OC)cc2
InChIInChI1.03InChI=1S/C19H23N3O3/c1-13-4-6-14(7-5-13)12-21-19(20)22-18(23)11-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H3,20,21,22,23)
InChIKeyInChI1.03LDSKOSCPBKZJCO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CC(=O)NC(=N)NCc2ccc(C)cc2)cc1OC
SMILESCACTVS3.385COc1ccc(CC(=O)NC(=N)NCc2ccc(C)cc2)cc1OC
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(/NCc1ccc(cc1)C)\NC(=O)Cc2ccc(c(c2)OC)OC
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1)CNC(=N)NC(=O)Cc2ccc(c(c2)OC)OC

223166

PDB entries from 2024-07-31

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