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

Systemtic Name: 2-ethyl-4-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-[2-(methoxycarbonylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-[[2-(methoxycarbonylamino)-2-oxoethyl]thio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-[2-(methoxycarbonylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(carbomethoxyamino)-2-keto-ethyl]thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5S/c1-4-7-13-6(2)9(11(17)18)10(14-7)21-5-8(16)15-12(19)20-3/h4-5H2,1-3H3,(H,17,18)(H,15,16,19)