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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]propan-1-one Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3OS/c1-12-10-17(20-14(3)19-12)23-13(2)18(22)21-9-8-15-6-4-5-7-16(15)11-21/h4-7,10,13H,8-9,11H2,1-3H3