2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C20H26N4S MolecularWeight: 354.51224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCCC(C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CCCC(C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H26N4S/c1-25-20-21-11-16(12-22-20)13-23-9-4-7-19(15-23)24-10-8-17-5-2-3-6-18(17)14-24/h2-3,5-6,11-12,19H,4,7-10,13-15H2,1H3