2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline Formula: C18H14F3N3S MolecularWeight: 361.38407

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C18H14F3N3S/c19-18(20,21)16-10-14(15-6-3-9-25-15)22-17(23-16)24-8-7-12-4-1-2-5-13(12)11-24/h1-6,9-10H,7-8,11H2