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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-N-cyclopentyl-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-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=C(C=C4)F)Cl)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=C(C=C4)F)Cl)CCC5=CC=CC=C5

InChI

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