2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-N-cyclopentyl-3-(3-fluorophenyl)-4-keto-quinazoline-7-carboxamide Formula: C27H22ClF2N3O2S MolecularWeight: 525.997286

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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=C(C=CC=C4Cl)F)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=CC=C4Cl)F)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H22ClF2N3O2S/c28-22-9-4-10-23(30)21(22)15-36-27-32-24-13-16(25(34)31-18-6-1-2-7-18)11-12-20(24)26(35)33(27)19-8-3-5-17(29)14-19/h3-5,8-14,18H,1-2,6-7,15H2,(H,31,34)