2-[7-morpholin-4-ylcarbonyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[7-morpholin-4-ylcarbonyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-benzyl-7-(morpholine-4-carbonyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-[4-morpholinyl(oxo)methyl]-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-benzyl-7-(morpholine-4-carbonyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-benzyl-4-keto-7-(morpholine-4-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S/c23-8-13-30-22-24-19-14-17(20(27)25-9-11-29-12-10-25)6-7-18(19)21(28)26(22)15-16-4-2-1-3-5-16/h1-7,14H,9-13,15H2