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

Systemtic Name: 2-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-(3-benzyl-6-morpholino-4-oxo-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[[6-(4-morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-(3-benzyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-benzyl-4-keto-6-morpholino-quinazolin-2-yl)thio]acetonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC#N

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC#N

InChI

InChI=1S/C21H20N4O2S/c22-8-13-28-21-23-19-7-6-17(24-9-11-27-12-10-24)14-18(19)20(26)25(21)15-16-4-2-1-3-5-16/h1-7,14H,9-13,15H2