2-(cyanomethylsulfanyl)-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-3-(3-fluorophenyl)-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-3-(3-fluorophenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H19FN4O2S/c1-13(2)12-24-19(27)14-6-7-17-18(10-14)25-21(29-9-8-23)26(20(17)28)16-5-3-4-15(22)11-16/h3-7,10-11,13H,9,12H2,1-2H3,(H,24,27)