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29F

Summary
Name:2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one
Formula:C18 H18 N2 O
Formal charge:0
Formula weight:278.348 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-tert-butylphenyl)quinazolin-4(3H)-one
OpenEye OEToolkits1.7.62-(4-tert-butylphenyl)-3H-quinazolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c3ccccc3N=C(c1ccc(cc1)C(C)(C)C)N2
InChIInChI1.03InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21)
InChIKeyInChI1.03QTABKBZRAZXDQK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESCACTVS3.370CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESOpenEye OEToolkits1.7.6CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2

222415

數據於2024-07-10公開中

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