4-[3-(aminocarbonylamino)-3-oxidanylidene-propyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[3-(aminocarbonylamino)-3-oxidanylidene-propyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-(3-oxo-3-ureido-propyl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[3-(carbamoylamino)-3-oxopropyl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[3-(carbamoylamino)-3-oxopropyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[(3-keto-3-ureido-propyl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-3-7-14-6(2)9(11(18)19)10(15-7)21-5-4-8(17)16-12(13)20/h3-5H2,1-2H3,(H,18,19)(H3,13,16,17,20)