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16I

Summary
Name:N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]THIOPHENE-2-CARBOXAMIDE
Formula:C19 H13 N3 O2 S
Formal charge:0
Formula weight:347.39 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
OpenEye OEToolkits1.9.2N-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc3ccc(C2=Nc1ccccc1C(=O)N2)cc3)c4sccc4
InChIInChI1.03InChI=1S/C19H13N3O2S/c23-18-14-4-1-2-5-15(14)21-17(22-18)12-7-9-13(10-8-12)20-19(24)16-6-3-11-25-16/h1-11H,(H,20,24)(H,21,22,23)
InChIKeyInChI1.03ZYFVSGVBEBJHCD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2)c4sccc4
SMILESCACTVS3.385O=C(Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2)c4sccc4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4

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數據於2024-07-10公開中

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