1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)C

InChI

InChI=1S/C23H25N3O3S2/c1-14-10-15(2)25-23(24-14)31-13-21(27)26-8-7-16-11-18(28-3)19(29-4)12-17(16)22(26)20-6-5-9-30-20/h5-6,9-12,22H,7-8,13H2,1-4H3