4-methyl-2-propan-2-yl-6-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-2-propan-2-yl-6-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-(thiazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-2-propan-2-yl-6-(4-thiazolylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-2-propan-2-yl-6-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-methyl-6-(thiazol-4-ylmethylthio)pyrimidine-5-carboxylic acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC2=CSC=N2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC2=CSC=N2)C(=O)O

InChI

InChI=1S/C13H15N3O2S2/c1-7(2)11-15-8(3)10(13(17)18)12(16-11)20-5-9-4-19-6-14-9/h4,6-7H,5H2,1-3H3,(H,17,18)