7-chloranyl-5-(2-methylpropoxy)-2-methylsulfanyl-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline

Systemtic Name: 7-chloranyl-5-(2-methylpropoxy)-2-methylsulfanyl-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline Openeye Name: 7-chloro-5-isobutoxy-2-methylsulfanyl-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline CAS Name: 7-chloro-5-(2-methylpropoxy)-2-(methylthio)-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline IUPAC Name: 7-chloro-5-(2-methylpropoxy)-2-methylsulfanyl-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline Traditional Name: 7-chloro-5-isobutoxy-2-(methylthio)-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline Formula: C17H17ClF3N3OS MolecularWeight: 403.84959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1(C2=C(C=CC(=C2)Cl)NC3=NC(=NC=C31)SC)C(F)(F)F

Isomeric SMILES

CC(C)COC1(C2=C(C=CC(=C2)Cl)NC3=NC(=NC=C31)SC)C(F)(F)F

InChI

InChI=1S/C17H17ClF3N3OS/c1-9(2)8-25-16(17(19,20)21)11-6-10(18)4-5-13(11)23-14-12(16)7-22-15(24-14)26-3/h4-7,9H,8H2,1-3H3,(H,22,23,24)