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

Systemtic Name: 2,4-dimethyl-6-[3-(methylcarbamoylamino)-3-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-[3-(methylcarbamoylamino)-3-oxo-propyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[3-(methylcarbamoylamino)-3-oxopropyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[3-(methylcarbamoylamino)-3-oxopropyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[[3-keto-3-(methylcarbamoylamino)propyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-6-9(11(18)19)10(15-7(2)14-6)21-5-4-8(17)16-12(20)13-3/h4-5H2,1-3H3,(H,18,19)(H2,13,16,17,20)