6,7-dimethoxy-4-(1-propylbenzimidazol-2-yl)sulfanyl-2-(trifluoromethyl)quinazoline

Systemtic Name: 6,7-dimethoxy-4-(1-propylbenzimidazol-2-yl)sulfanyl-2-(trifluoromethyl)quinazoline Openeye Name: 6,7-dimethoxy-4-(1-propylbenzimidazol-2-yl)sulfanyl-2-(trifluoromethyl)quinazoline CAS Name: 6,7-dimethoxy-4-[(1-propyl-2-benzimidazolyl)thio]-2-(trifluoromethyl)quinazoline IUPAC Name: 6,7-dimethoxy-4-(1-propylbenzimidazol-2-yl)sulfanyl-2-(trifluoromethyl)quinazoline Traditional Name: 6,7-dimethoxy-4-[(1-propylbenzimidazol-2-yl)thio]-2-(trifluoromethyl)quinazoline Formula: C21H19F3N4O2S MolecularWeight: 448.46137

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SC3=NC(=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SC3=NC(=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O2S/c1-4-9-28-15-8-6-5-7-13(15)26-20(28)31-18-12-10-16(29-2)17(30-3)11-14(12)25-19(27-18)21(22,23)24/h5-8,10-11H,4,9H2,1-3H3