N-cyclopentyl-3-(3-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(4-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[(4-fluorobenzyl)thio]-3-(3-fluorophenyl)-4-keto-quinazoline-7-carboxamide Formula: C27H23F2N3O2S MolecularWeight: 491.552226

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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=C(C=C4)F)C5=CC(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H23F2N3O2S/c28-19-11-8-17(9-12-19)16-35-27-31-24-14-18(25(33)30-21-5-1-2-6-21)10-13-23(24)26(34)32(27)22-7-3-4-20(29)15-22/h3-4,7-15,21H,1-2,5-6,16H2,(H,30,33)