6-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[homoveratryl(methyl)amino]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC2=CC(=O)N=C(N2)SC

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC2=CC(=O)N=C(N2)SC

InChI

InChI=1S/C17H23N3O3S/c1-20(11-13-10-16(21)19-17(18-13)24-4)8-7-12-5-6-14(22-2)15(9-12)23-3/h5-6,9-10H,7-8,11H2,1-4H3,(H,18,19,21)