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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C17H19N3OS/c1-12-9-13(2)19-17(18-12)22-11-16(21)20-8-7-14-5-3-4-6-15(14)10-20/h3-6,9H,7-8,10-11H2,1-2H3