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2X1

Summary
Name:4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide
Formula:C15 H17 N5 O
Formal charge:0
Formula weight:283.328 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide
OpenEye OEToolkits1.7.61-[3-(aminomethyl)phenyl]-3-(4-carbamimidoylphenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cc(ccc1)CN)Nc2ccc(C(=[N@H])N)cc2
InChIInChI1.03InChI=1S/C15H17N5O/c16-9-10-2-1-3-13(8-10)20-15(21)19-12-6-4-11(5-7-12)14(17)18/h1-8H,9,16H2,(H3,17,18)(H2,19,20,21)
InChIKeyInChI1.03LNSAAROLFORION-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCc1cccc(NC(=O)Nc2ccc(cc2)C(N)=N)c1
SMILESCACTVS3.385NCc1cccc(NC(=O)Nc2ccc(cc2)C(N)=N)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)\N
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)NC(=O)Nc2ccc(cc2)C(=N)N)CN

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PDB entries from 2024-04-17

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