1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one

Systemtic Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one Openeye Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-propanone IUPAC Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=C(N=C(N=C3C)SC)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=C(N=C(N=C3C)SC)C)OCC

InChI

InChI=1S/C23H31N3O3S/c1-6-28-20-12-17-10-11-26(14-18(17)13-21(20)29-7-2)22(27)9-8-19-15(3)24-23(30-5)25-16(19)4/h12-13H,6-11,14H2,1-5H3