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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-amino-2-oxoethyl)thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)N)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)N)C(=O)O)C

InChI

InChI=1S/C10H13N3O3S/c1-3-7-12-5(2)8(10(15)16)9(13-7)17-4-6(11)14/h3-4H2,1-2H3,(H2,11,14)(H,15,16)