2-[3-(6-morpholin-4-yl-6-oxidanylidene-hexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(6-morpholin-4-yl-6-oxidanylidene-hexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(6-morpholino-6-oxo-hexyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[6-(4-morpholinyl)-6-oxohexyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(6-morpholin-4-yl-6-oxohexyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(6-keto-6-morpholino-hexyl)quinazolin-2-yl]thio]acetonitrile Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCCCN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1COCCN1C(=O)CCCCCN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C20H24N4O3S/c21-9-15-28-20-22-17-7-4-3-6-16(17)19(26)24(20)10-5-1-2-8-18(25)23-11-13-27-14-12-23/h3-4,6-7H,1-2,5,8,10-15H2