6-methyl-5-[2-(3-methylphenyl)carbonyloxyethyl]-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[2-(3-methylphenyl)carbonyloxyethyl]-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-5-[2-(3-methylbenzoyl)oxyethyl]-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[2-[(3-methylphenyl)-oxomethoxy]ethyl]-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-methyl-5-[2-(3-methylbenzoyl)oxyethyl]-2-methylsulfanylpyrimidin-4-olate Traditional Name: 6-methyl-2-(methylthio)-5-(2-m-toluoyloxyethyl)pyrimidin-4-olate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCC2=C(N=C(N=C2[O-])SC)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCC2=C(N=C(N=C2[O-])SC)C

InChI

InChI=1S/C16H18N2O3S/c1-10-5-4-6-12(9-10)15(20)21-8-7-13-11(2)17-16(22-3)18-14(13)19/h4-6,9H,7-8H2,1-3H3,(H,17,18,19)/p-1