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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-N-cyclopentyl-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C28H25ClFN3O3S MolecularWeight: 538.032803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=C(C=CC=C5Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=C(C=CC=C5Cl)F

InChI

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