1U2

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Summary

Name:6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide
Formula:C18 H16 N4 O
Formal charge:0
Molecular weight:304.346 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide
OpenEye OEToolkits1.7.61-(6-carbamimidoylnaphthalen-2-yl)-3-phenyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccccc1)Nc3cc2ccc(C(=[N@H])N)cc2cc3
InChIInChI1.03InChI=1S/C18H16N4O/c19-17(20)14-7-6-13-11-16(9-8-12(13)10-14)22-18(23)21-15-4-2-1-3-5-15/h1-11H,(H3,19,20)(H2,21,22,23)
InChIKeyInChI1.03JSKAQIFORULOPI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370NC(=N)c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1
SMILESCACTVS3.370NC(=N)c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)NC(=O)Nc2ccc3cc(ccc3c2)C(=N)N
171588
PDB entries from 2020-11-25