4-(cyanomethylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(cyanomethylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(cyanomethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(cyanomethylthio)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(cyanomethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(cyanomethylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C8H7N3O3S MolecularWeight: 225.22448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N3O3S/c1-4-5(7(12)13)6(15-3-2-9)11-8(14)10-4/h3H2,1H3,(H,12,13)(H,10,11,14)