2-ethyl-4-methyl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-(4-pyridylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-(pyridin-4-ylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-methyl-6-(4-pyridylmethylthio)pyrimidine-5-carboxylic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC=NC=C2)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC=NC=C2)C(=O)O)C

InChI

InChI=1S/C14H15N3O2S/c1-3-11-16-9(2)12(14(18)19)13(17-11)20-8-10-4-6-15-7-5-10/h4-7H,3,8H2,1-2H3,(H,18,19)