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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-isobutyl-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-(2-methylpropyl)-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-3-isobutyl-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C23H25ClFN3O2S MolecularWeight: 461.979903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C)N=C1SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C)N=C1SCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C23H25ClFN3O2S/c1-13(2)11-28-22(30)18-8-6-15(21(29)26-14(3)4)9-20(18)27-23(28)31-12-16-5-7-17(25)10-19(16)24/h5-10,13-14H,11-12H2,1-4H3,(H,26,29)