2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]acetonitrile Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCC3=CCCCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCC3=CCCCC3)OC

InChI

InChI=1S/C20H23N3O3S/c1-25-17-12-15-16(13-18(17)26-2)22-20(27-11-9-21)23(19(15)24)10-8-14-6-4-3-5-7-14/h6,12-13H,3-5,7-8,10-11H2,1-2H3