6-methyl-2-oxidanylidene-4-pentylsulfanyl-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-2-oxidanylidene-4-pentylsulfanyl-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-oxo-4-pentylsulfanyl-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-(pentylthio)-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-oxo-4-pentylsulfanyl-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(amylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C11H16N2O3S MolecularWeight: 256.32134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)NC(=C1C(=O)O)C

Isomeric SMILES

CCCCCSC1=NC(=O)NC(=C1C(=O)O)C

InChI

InChI=1S/C11H16N2O3S/c1-3-4-5-6-17-9-8(10(14)15)7(2)12-11(16)13-9/h3-6H2,1-2H3,(H,14,15)(H,12,13,16)