2-methylsulfanyl-4-propyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanyl-4-propyl-pyrimidine-5-carboxylate Openeye Name: 2-methylsulfanyl-4-propyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-propyl-5-pyrimidinecarboxylate IUPAC Name: 2-methylsulfanyl-4-propylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-propyl-pyrimidine-5-carboxylate Formula: C9H11N2O2S- MolecularWeight: 211.26084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)[O-])SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)[O-])SC

InChI

InChI=1S/C9H12N2O2S/c1-3-4-7-6(8(12)13)5-10-9(11-7)14-2/h5H,3-4H2,1-2H3,(H,12,13)/p-1