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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-cyclopentyl-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-N-cyclopentyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C29H27ClFN3O2S MolecularWeight: 536.059983

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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)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=CC=C4Cl)F)CCC5=CC=CC=C5

InChI

InChI=1S/C29H27ClFN3O2S/c30-24-11-6-12-25(31)23(24)18-37-29-33-26-17-20(27(35)32-21-9-4-5-10-21)13-14-22(26)28(36)34(29)16-15-19-7-2-1-3-8-19/h1-3,6-8,11-14,17,21H,4-5,9-10,15-16,18H2,(H,32,35)