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

Systemtic Name: N-cyclopentyl-3-(3-fluorophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-cyclopentyl-3-(3-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-N-cyclopentyl-3-(3-fluorophenyl)-4-keto-quinazoline-7-carboxamide Formula: C27H24FN3O2S MolecularWeight: 473.561763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H24FN3O2S/c28-20-9-6-12-22(16-20)31-26(33)23-14-13-19(25(32)29-21-10-4-5-11-21)15-24(23)30-27(31)34-17-18-7-2-1-3-8-18/h1-3,6-9,12-16,21H,4-5,10-11,17H2,(H,29,32)