4-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-(2-oxo-2-ureido-ethyl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(carbamoylamino)-2-oxoethyl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[(2-keto-2-ureido-ethyl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C11H14N4O4S MolecularWeight: 298.31826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NC(=O)N)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NC(=O)N)C(=O)O)C

InChI

InChI=1S/C11H14N4O4S/c1-3-6-13-5(2)8(10(17)18)9(14-6)20-4-7(16)15-11(12)19/h3-4H2,1-2H3,(H,17,18)(H3,12,15,16,19)