6-methyl-4-[3-(methylcarbamoylamino)-3-oxidanylidene-propyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-[3-(methylcarbamoylamino)-3-oxidanylidene-propyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-[3-(methylcarbamoylamino)-3-oxo-propyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-[[3-(methylcarbamoylamino)-3-oxopropyl]thio]-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-[3-(methylcarbamoylamino)-3-oxopropyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-[[3-keto-3-(methylcarbamoylamino)propyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C11H14N4O5S MolecularWeight: 314.31766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O5S/c1-5-7(9(17)18)8(15-11(20)13-5)21-4-3-6(16)14-10(19)12-2/h3-4H2,1-2H3,(H,17,18)(H,13,15,20)(H2,12,14,16,19)