[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3,3-dimethylbutanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3,3-dimethylbutanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

Isomeric SMILES

CC(C)(C)CC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

InChI

InChI=1S/C17H19N3O3/c1-17(2,3)10-15(21)23-11-14-19-13-7-5-4-6-12(13)16(22)20(14)9-8-18/h4-7H,9-11H2,1-3H3