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

Systemtic Name: 4-[3-(aminocarbonylamino)-3-oxidanylidene-propyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-(3-oxo-3-ureido-propyl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[3-(carbamoylamino)-3-oxopropyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[3-(carbamoylamino)-3-oxopropyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-keto-3-ureido-propyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCC(=O)NC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCC(=O)NC(=O)N)C(=O)O

InChI

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