4-[[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-quinazolin-3-yl]methyl]-N-cyclopropyl-benzamide Formula: C26H21ClFN3O2S MolecularWeight: 493.980243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C26H21ClFN3O2S/c27-21-5-3-6-22(28)20(21)15-34-26-30-23-7-2-1-4-19(23)25(33)31(26)14-16-8-10-17(11-9-16)24(32)29-18-12-13-18/h1-11,18H,12-15H2,(H,29,32)