2-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[2-(hexylthio)-6-methyl-4-pyrimidinyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(2-hexylsulfanyl-6-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[2-(hexylthio)-6-methyl-pyrimidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C21H29N3S MolecularWeight: 355.54006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=CC(=N1)CN2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCCCCCSC1=NC(=CC(=N1)CN2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H29N3S/c1-3-4-5-8-13-25-21-22-17(2)14-20(23-21)16-24-12-11-18-9-6-7-10-19(18)15-24/h6-7,9-10,14H,3-5,8,11-13,15-16H2,1-2H3