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9AN

Summary
Name:2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one
Formula:C14 H10 N2 O2
Formal charge:0
Formula weight:238.241 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
InChIKeyInChI1.03XMXQFRPDUIBGED-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2
SMILESCACTVS3.385Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O

218853

PDB entries from 2024-04-24

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