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9C5

Summary
Name:2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one
Formula:C17 H17 N3 O2
Formal charge:0
Formula weight:295.336 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H17N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,21H,10-11H2,1H3,(H,18,19,22)
InChIKeyInChI1.03HRBBDVCUROQJPS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESCACTVS3.385CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESOpenEye OEToolkits2.0.6CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2

217705

PDB entries from 2024-03-27

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