2,4-dimethyl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-(4-pyridylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-(pyridin-4-ylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-(4-pyridylmethylthio)pyrimidine-5-carboxylic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C13H13N3O2S/c1-8-11(13(17)18)12(16-9(2)15-8)19-7-10-3-5-14-6-4-10/h3-6H,7H2,1-2H3,(H,17,18)