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

Systemtic Name: 4-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c1-7-9(11(18)19)10(15-12(20)14-7)21-6-8(17)16(2)5-3-4-13/h3,5-6H2,1-2H3,(H,18,19)(H,14,15,20)