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

Systemtic Name: 4-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(methoxycarbonylamino)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(methoxycarbonylamino)-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(methoxycarbonylamino)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(carbomethoxyamino)-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NC(=O)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NC(=O)OC)C(=O)O

InChI

InChI=1S/C11H13N3O5S/c1-5-8(10(16)17)9(13-6(2)12-5)20-4-7(15)14-11(18)19-3/h4H2,1-3H3,(H,16,17)(H,14,15,18)