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

Systemtic Name: 7-chloranyl-2-methylsulfanyl-5-phenylmethoxy-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline Openeye Name: 5-benzyloxy-7-chloro-2-methylsulfanyl-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline CAS Name: 7-chloro-2-(methylthio)-5-phenylmethoxy-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline IUPAC Name: 7-chloro-2-methylsulfanyl-5-phenylmethoxy-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline Traditional Name: 5-benzoxy-7-chloro-2-(methylthio)-5-(trifluoromethyl)-10H-pyrimido[4,5-b]quinoline Formula: C20H15ClF3N3OS MolecularWeight: 437.86581

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)NC3=C(C2(C(F)(F)F)OCC4=CC=CC=C4)C=C(C=C3)Cl

Isomeric SMILES

CSC1=NC=C2C(=N1)NC3=C(C2(C(F)(F)F)OCC4=CC=CC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C20H15ClF3N3OS/c1-29-18-25-10-15-17(27-18)26-16-8-7-13(21)9-14(16)19(15,20(22,23)24)28-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,25,26,27)