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JP0

Summary
Name:N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea
Formula:C24 H22 N4 O3
Formal charge:0
Formula weight:414.456 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea
OpenEye OEToolkits2.0.71-[(4-methoxyphenyl)methyl]-1-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)methyl]-3-phenyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1ccc(cc1)CN(CC1=Nc2ccccc2C(=O)N1)C(=O)Nc1ccccc1
InChIInChI1.03InChI=1S/C24H22N4O3/c1-31-19-13-11-17(12-14-19)15-28(24(30)25-18-7-3-2-4-8-18)16-22-26-21-10-6-5-9-20(21)23(29)27-22/h2-14H,15-16H2,1H3,(H,25,30)(H,26,27,29)
InChIKeyInChI1.03XTEZXFQBNHHUBP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CN(CC2=Nc3ccccc3C(=O)N2)C(=O)Nc4ccccc4)cc1
SMILESCACTVS3.385COc1ccc(CN(CC2=Nc3ccccc3C(=O)N2)C(=O)Nc4ccccc4)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cc1)CN(CC2=Nc3ccccc3C(=O)N2)C(=O)Nc4ccccc4
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1)CN(CC2=Nc3ccccc3C(=O)N2)C(=O)Nc4ccccc4

223532

PDB entries from 2024-08-07

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