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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methylpyrimidin-2-yl)thio]ethanone Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H17N3OS/c1-12-6-8-17-16(18-12)21-11-15(20)19-9-7-13-4-2-3-5-14(13)10-19/h2-6,8H,7,9-11H2,1H3