2-ethyl-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: 2-ethyl-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 2-ethyl-4-isopentylsulfanyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-ethyl-4-methyl-6-(3-methylbutylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-ethyl-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 2-ethyl-4-(isoamylthio)-6-methyl-pyrimidine-5-carboxylate Formula: C13H19N2O2S- MolecularWeight: 267.36716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCCC(C)C)C(=O)[O-])C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCCC(C)C)C(=O)[O-])C

InChI

InChI=1S/C13H20N2O2S/c1-5-10-14-9(4)11(13(16)17)12(15-10)18-7-6-8(2)3/h8H,5-7H2,1-4H3,(H,16,17)/p-1