2-cyclopentyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 2-cyclopentyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2-cyclopentyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopentyl-4-methyl-6-(methylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-cyclopentyl-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-cyclopentyl-4-methyl-6-(methylthio)pyrimidine-5-carboxylate Formula: C12H15N2O2S- MolecularWeight: 251.3247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCC2)SC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCC2)SC)C(=O)[O-]

InChI

InChI=1S/C12H16N2O2S/c1-7-9(12(15)16)11(17-2)14-10(13-7)8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,15,16)/p-1