2-ethyl-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: 2-ethyl-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 4-benzylsulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-ethyl-4-methyl-6-(phenylmethylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-benzylsulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-(benzylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylate Formula: C15H15N2O2S- MolecularWeight: 287.3568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)[O-])C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)[O-])C

InChI

InChI=1S/C15H16N2O2S/c1-3-12-16-10(2)13(15(18)19)14(17-12)20-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,18,19)/p-1