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SummaryGeometryRelated PDB entries

A1DAW

Summary
Name:N-(1-ethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
Formula:C22 H19 N5 O3
Formal charge:0
Formula weight:401.418 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(1-ethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
OpenEye OEToolkits3.1.0.0~{N}-(1-ethyl-6-oxidanylidene-pyrimidin-5-yl)-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CCN1C=NC=C(NC(=O)c2ccc(cc2)N2C(C)=Nc3ccccc3C2=O)C1=O
InChIInChI1.06InChI=1S/C22H19N5O3/c1-3-26-13-23-12-19(22(26)30)25-20(28)15-8-10-16(11-9-15)27-14(2)24-18-7-5-4-6-17(18)21(27)29/h4-13H,3H2,1-2H3,(H,25,28)
InChIKeyInChI1.06JTIIYOJMFDEHGF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1C=NC=C(NC(=O)c2ccc(cc2)N3C(=Nc4ccccc4C3=O)C)C1=O
SMILESCACTVS3.385CCN1C=NC=C(NC(=O)c2ccc(cc2)N3C(=Nc4ccccc4C3=O)C)C1=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCN1C=NC=C(C1=O)NC(=O)c2ccc(cc2)N3C(=Nc4ccccc4C3=O)C
SMILESOpenEye OEToolkits3.1.0.0CCN1C=NC=C(C1=O)NC(=O)c2ccc(cc2)N3C(=Nc4ccccc4C3=O)C

257629

PDB entries from 2026-08-05

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