4-[bis(fluoranyl)methylsulfanyl]-N-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-benzamide Openeye Name: 4-(difluoromethylsulfanyl)-N-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-benzamide CAS Name: 4-(difluoromethylthio)-N-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethylbenzamide IUPAC Name: 4-(difluoromethylsulfanyl)-N-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethylbenzamide Traditional Name: 4-(difluoromethylthio)-N-ethyl-N-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]benzamide Formula: C21H21F2N3O4S MolecularWeight: 449.470946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C(=O)C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C(=O)C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C21H21F2N3O4S/c1-4-26(20(28)12-5-7-13(8-6-12)31-21(22)23)11-18-24-15-10-17(30-3)16(29-2)9-14(15)19(27)25-18/h5-10,21H,4,11H2,1-3H3,(H,24,25,27)