2-(7-morpholin-4-ylcarbonyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(7-morpholin-4-ylcarbonyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-[7-(morpholine-4-carbonyl)-4-oxo-3-pentyl-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-[4-morpholinyl(oxo)methyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[7-(morpholine-4-carbonyl)-4-oxo-3-pentylquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-amyl-4-keto-7-(morpholine-4-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCOCC3)N=C1SCC#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCOCC3)N=C1SCC#N

InChI

InChI=1S/C20H24N4O3S/c1-2-3-4-8-24-19(26)16-6-5-15(18(25)23-9-11-27-12-10-23)14-17(16)22-20(24)28-13-7-21/h5-6,14H,2-4,8-13H2,1H3