4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-amino-2-oxoethyl)thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C8H9N3O4S MolecularWeight: 243.23976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O4S/c1-3-5(7(13)14)6(11-8(15)10-3)16-2-4(9)12/h2H2,1H3,(H2,9,12)(H,13,14)(H,10,11,15)