6-methyl-2-methylsulfanyl-5-[2-(phenylcarbonyloxy)ethyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-methylsulfanyl-5-[2-(phenylcarbonyloxy)ethyl]pyrimidin-4-olate Openeye Name: 5-(2-benzoyloxyethyl)-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-(2-benzoyloxyethyl)-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-(2-benzoyloxyethyl)-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-(2-benzoyloxyethyl)-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C15H15N2O3S- MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O3S/c1-10-12(13(18)17-15(16-10)21-2)8-9-20-14(19)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,18)/p-1