2-[2-(chloromethyl)-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-(chloromethyl)-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-(chloromethyl)-6,7-dimethoxy-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-(chloromethyl)-6,7-dimethoxy-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-(chloromethyl)-6,7-dimethoxy-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-(chloromethyl)-4-keto-6,7-dimethoxy-quinazolin-3-yl]acetonitrile Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CCl)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CCl)CC#N)OC

InChI

InChI=1S/C13H12ClN3O3/c1-19-10-5-8-9(6-11(10)20-2)16-12(7-14)17(4-3-15)13(8)18/h5-6H,4,7H2,1-2H3