2,4-dimethyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: 2,4-dimethyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 4-benzylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-(phenylmethylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-benzylsulfanyl-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-(benzylthio)-2,6-dimethyl-pyrimidine-5-carboxylate Formula: C14H13N2O2S- MolecularWeight: 273.33022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H14N2O2S/c1-9-12(14(17)18)13(16-10(2)15-9)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,18)/p-1