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

Systemtic Name: 4-methyl-6-(3-methylbutylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: 4-isopentylsulfanyl-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(3-methylbutylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylate IUPAC Name: 4-methyl-6-(3-methylbutylsulfanyl)-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(isoamylthio)-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate Formula: C15H17N2O2S2- MolecularWeight: 321.43768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S2/c1-9(2)6-8-21-14-12(15(18)19)10(3)16-13(17-14)11-5-4-7-20-11/h4-5,7,9H,6,8H2,1-3H3,(H,18,19)/p-1