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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-cyclopentyl-3-(3-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-N-cyclopentyl-3-(3-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-cyclopentyl-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-N-cyclopentyl-4-keto-3-(3-methoxyphenyl)quinazoline-7-carboxamide Formula: C28H25ClFN3O3S MolecularWeight: 538.032803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C28H25ClFN3O3S/c1-36-22-8-4-7-21(15-22)33-27(35)23-12-10-17(26(34)31-20-5-2-3-6-20)13-25(23)32-28(33)37-16-18-9-11-19(30)14-24(18)29/h4,7-15,20H,2-3,5-6,16H2,1H3,(H,31,34)