(2,6-dimethylphenyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (2,6-dimethylphenyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (2,6-dimethylphenyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (2,6-dimethylphenyl) ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C18H22N2O2S/c1-11-7-6-8-12(2)17(11)22-16(21)10-9-15-13(3)19-18(23-5)20-14(15)4/h6-8H,9-10H2,1-5H3