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

Systemtic Name: 5-[2-(3-chlorophenyl)carbonyloxyethyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[2-(3-chlorobenzoyl)oxyethyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[2-[(3-chlorophenyl)-oxomethoxy]ethyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[2-(3-chlorobenzoyl)oxyethyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[2-(3-chlorobenzoyl)oxyethyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C15H14ClN2O3S- MolecularWeight: 337.80126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O3S/c1-9-12(13(19)18-15(17-9)22-2)6-7-21-14(20)10-4-3-5-11(16)8-10/h3-5,8H,6-7H2,1-2H3,(H,17,18,19)/p-1