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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N,3-diisobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-N,3-bis(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-N,3-diisobutyl-4-keto-quinazoline-7-carboxamide Formula: C24H27ClFN3O2S MolecularWeight: 476.006483

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClFN3O2S/c1-14(2)11-27-22(30)16-6-8-19-21(9-16)28-24(29(23(19)31)12-15(3)4)32-13-17-5-7-18(26)10-20(17)25/h5-10,14-15H,11-13H2,1-4H3,(H,27,30)