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BZ0

Summary
Name:N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide
Formula:C18 H16 N4 O3
Formal charge:0
Formula weight:336.345 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide
OpenEye OEToolkits1.9.2N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccccc3
InChIInChI1.03InChI=1S/C18H16N4O3/c19-15-14(20-16(23)13-9-5-2-6-10-13)17(24)21-18(25)22(15)11-12-7-3-1-4-8-12/h1-10H,11,19H2,(H,20,23)(H,21,24,25)
InChIKeyInChI1.03DBKMVZKVOWRXSU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC1=C(NC(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccccc3
SMILESCACTVS3.385NC1=C(NC(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N

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PDB entries from 2024-07-10

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