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9A8

Summary
Name:2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one
Formula:C17 H16 N2 O2
Formal charge:0
Formula weight:280.321 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H16N2O2/c1-11(2)21-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11H,1-2H3,(H,18,19,20)
InChIKeyInChI1.03COESBKQDPONYFC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESCACTVS3.385CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESOpenEye OEToolkits2.0.6CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2

217705

PDB entries from 2024-03-27

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