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

Systemtic Name: 4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O4S/c1-6-8(10(17)18)9(15-11(19)14-6)20-5-7(16)13-4-2-3-12/h2,4-5H2,1H3,(H,13,16)(H,17,18)(H,14,15,19)