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F38

Summary
Name:[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide
Formula:C15 H13 N3 O3 S
Formal charge:0
Formula weight:315.347 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methanesulfonamide
OpenEye OEToolkits1.9.2[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChIInChI1.03InChI=1S/C15H13N3O3S/c16-22(20,21)9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,9H2,(H2,16,20,21)(H,17,18,19)
InChIKeyInChI1.03BSTJFPSLLBHMAU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESCACTVS3.385N[S](=O)(=O)Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N

219140

PDB entries from 2024-05-01

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