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

Systemtic Name: 6-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-2-methyl-5-sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 6-[5-(carboxymethyl)-4-methyl-thiazol-2-yl]sulfanyl-2-methyl-5-sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 6-[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]-5-mercapto-2-methyl-4-pyrimidinecarboxylic acid IUPAC Name: 6-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-2-methyl-5-sulfanylpyrimidine-4-carboxylic acid Traditional Name: 6-[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]thio]-5-mercapto-2-methyl-pyrimidine-4-carboxylic acid Formula: C12H11N3O4S3 MolecularWeight: 357.42844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4S3/c1-4-6(3-7(16)17)21-12(13-4)22-10-9(20)8(11(18)19)14-5(2)15-10/h20H,3H2,1-2H3,(H,16,17)(H,18,19)