2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[[(4-methylphenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21N3OS/c1-15-6-8-19(9-7-15)26-14-18-12-20(25)23-21(22-18)24-11-10-16-4-2-3-5-17(16)13-24/h2-9,12H,10-11,13-14H2,1H3,(H,22,23,25)