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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-isobutyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-N-isobutyl-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C27H25ClFN3O3S MolecularWeight: 526.022103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H25ClFN3O3S/c1-16(2)14-30-25(33)17-5-11-22-24(12-17)31-27(36-15-18-4-6-19(29)13-23(18)28)32(26(22)34)20-7-9-21(35-3)10-8-20/h4-13,16H,14-15H2,1-3H3,(H,30,33)