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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-cyclopentyl-3-(3-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-cyclopentyl-3-(3-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-cyclopentyl-3-(3-fluorophenyl)-4-keto-quinazoline-7-carboxamide Formula: C22H19FN4O2S MolecularWeight: 422.475263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H19FN4O2S/c23-15-4-3-7-17(13-15)27-21(29)18-9-8-14(20(28)25-16-5-1-2-6-16)12-19(18)26-22(27)30-11-10-24/h3-4,7-9,12-13,16H,1-2,5-6,11H2,(H,25,28)