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

Systemtic Name: 2-[3-(3-fluorophenyl)-7-morpholin-4-ylcarbonyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(3-fluorophenyl)-7-[4-morpholinyl(oxo)methyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(3-fluorophenyl)-4-keto-7-(morpholine-4-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C21H17FN4O3S MolecularWeight: 424.448083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN4O3S/c22-15-2-1-3-16(13-15)26-20(28)17-5-4-14(19(27)25-7-9-29-10-8-25)12-18(17)24-21(26)30-11-6-23/h1-5,12-13H,7-11H2