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

Systemtic Name: 2-cyclopropyl-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 2-cyclopropyl-4-isopentylsulfanyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopropyl-4-methyl-6-(3-methylbutylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-cyclopropyl-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-(isoamylthio)-6-methyl-pyrimidine-5-carboxylate Formula: C14H19N2O2S- MolecularWeight: 279.37786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCCC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCCC(C)C)C(=O)[O-]

InChI

InChI=1S/C14H20N2O2S/c1-8(2)6-7-19-13-11(14(17)18)9(3)15-12(16-13)10-4-5-10/h8,10H,4-7H2,1-3H3,(H,17,18)/p-1