1-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline

Systemtic Name: 1-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline Openeye Name: 1-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline CAS Name: 1-[[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-3,3-dimethyl-4H-isoquinoline IUPAC Name: 1-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline Traditional Name: 1-[[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-3,3-dimethyl-4H-isoquinoline Formula: C21H18F3N3OS MolecularWeight: 417.44733

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4)C

InChI

InChI=1S/C21H18F3N3OS/c1-20(2)11-13-6-3-4-7-14(13)16(27-20)12-29-19-25-15(17-8-5-9-28-17)10-18(26-19)21(22,23)24/h3-10H,11-12H2,1-2H3