2-(4-azanylidene-6,7-dimethoxy-3-phenethyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-azanylidene-6,7-dimethoxy-3-phenethyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-imino-6,7-dimethoxy-3-phenethyl-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-imino-6,7-dimethoxy-3-phenethyl-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(4-imino-6,7-dimethoxy-3-phenethylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-imino-6,7-dimethoxy-3-phenethyl-quinazolin-2-yl)thio]acetonitrile Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC#N)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC#N)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H20N4O2S/c1-25-17-12-15-16(13-18(17)26-2)23-20(27-11-9-21)24(19(15)22)10-8-14-6-4-3-5-7-14/h3-7,12-13,22H,8,10-11H2,1-2H3