2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(6-morpholino-4-oxo-3-phenethyl-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[[6-(4-morpholinyl)-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-(6-morpholin-4-yl-4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC#N

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC#N

InChI

InChI=1S/C22H22N4O2S/c23-9-15-29-22-24-20-7-6-18(25-11-13-28-14-12-25)16-19(20)21(27)26(22)10-8-17-4-2-1-3-5-17/h1-7,16H,8,10-15H2