cyanomethyl 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: cyanomethyl 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: cyanomethyl 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butyric acid cyanomethyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)OCC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)OCC#N)OC

InChI

InChI=1S/C16H17N3O5/c1-22-13-8-11-12(9-14(13)23-2)18-10-19(16(11)21)6-3-4-15(20)24-7-5-17/h8-10H,3-4,6-7H2,1-2H3