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MEJ

Summary
Name:3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
Formula:C19 H19 N3 O2
Formal charge:0
Formula weight:321.373 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
OpenEye OEToolkits1.7.63-(4-oxidanylidene-3H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(c1ccccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
InChIInChI1.03InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
InChIKeyInChI1.03QIHBWVVVRYYYRO-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.370C[C@H](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3
SMILESCACTVS3.370C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2
SMILESOpenEye OEToolkits1.7.6CC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2

222415

数据于2024-07-10公开中

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