4-cyclopentylsulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-cyclopentylsulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-cyclopentylsulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(cyclopentylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-cyclopentylsulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(cyclopentylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SC2CCCC2)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC2CCCC2)C(=O)O)C

InChI

InChI=1S/C13H18N2O2S/c1-3-10-14-8(2)11(13(16)17)12(15-10)18-9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,16,17)