6,7-dimethoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)CC4=CN=C(N=C4)SC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)CC4=CN=C(N=C4)SC)OC

InChI

InChI=1S/C22H30N4O2S/c1-27-20-9-17-6-8-26(14-18(17)10-21(20)28-2)19-5-4-7-25(15-19)13-16-11-23-22(29-3)24-12-16/h9-12,19H,4-8,13-15H2,1-3H3