2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholino-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[(3-homoveratryl-4-keto-6-morpholino-quinazolin-2-yl)thio]acetonitrile Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC#N)OC

InChI

InChI=1S/C24H26N4O4S/c1-30-21-6-3-17(15-22(21)31-2)7-9-28-23(29)19-16-18(27-10-12-32-13-11-27)4-5-20(19)26-24(28)33-14-8-25/h3-6,15-16H,7,9-14H2,1-2H3