6-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[2-(3,5-dimethylphenoxy)ethyl-methylamino]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[2-(3,5-dimethylphenoxy)ethyl-methylamino]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C17H23N3O2S MolecularWeight: 333.44842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)CC2=CC(=O)N=C(N2)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)CC2=CC(=O)N=C(N2)SC)C

InChI

InChI=1S/C17H23N3O2S/c1-12-7-13(2)9-15(8-12)22-6-5-20(3)11-14-10-16(21)19-17(18-14)23-4/h7-10H,5-6,11H2,1-4H3,(H,18,19,21)