4-methyl-6-(2-methylpropylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: 4-methyl-6-(2-methylpropylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: 4-isobutylsulfanyl-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(2-methylpropylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylate IUPAC Name: 4-methyl-6-(2-methylpropylsulfanyl)-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(isobutylthio)-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate Formula: C14H15N2O2S2- MolecularWeight: 307.4111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC(C)C)C(=O)[O-]

InChI

InChI=1S/C14H16N2O2S2/c1-8(2)7-20-13-11(14(17)18)9(3)15-12(16-13)10-5-4-6-19-10/h4-6,8H,7H2,1-3H3,(H,17,18)/p-1