6-[[5-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-2-methyl-5-sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 6-[[5-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-2-methyl-5-sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 6-[5-(2-methoxy-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanyl-2-methyl-5-sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-mercapto-6-[[5-(2-methoxy-2-oxoethyl)-4-methyl-2-thiazolyl]thio]-2-methyl-4-pyrimidinecarboxylic acid IUPAC Name: 6-[[5-(2-methoxy-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-2-methyl-5-sulfanylpyrimidine-4-carboxylic acid Traditional Name: 6-[[5-(2-keto-2-methoxy-ethyl)-4-methyl-thiazol-2-yl]thio]-5-mercapto-2-methyl-pyrimidine-4-carboxylic acid Formula: C13H13N3O4S3 MolecularWeight: 371.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=NC(=NC(=C2S)C(=O)O)C)CC(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)SC2=NC(=NC(=C2S)C(=O)O)C)CC(=O)OC

InChI

InChI=1S/C13H13N3O4S3/c1-5-7(4-8(17)20-3)22-13(14-5)23-11-10(21)9(12(18)19)15-6(2)16-11/h21H,4H2,1-3H3,(H,18,19)