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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl butanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl butanoate CAS Name: butanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl butanoate Traditional Name: butyric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3/c1-2-5-14(19)21-10-13-17-12-7-4-3-6-11(12)15(20)18(13)9-8-16/h3-4,6-7H,2,5,9-10H2,1H3