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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]propan-1-one Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3OS/c1-13(2)19-21-14(3)11-18(22-19)25-15(4)20(24)23-10-9-16-7-5-6-8-17(16)12-23/h5-8,11,13,15H,9-10,12H2,1-4H3