2,4-dimethyl-6-octylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-octylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-octylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-(octylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-octylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-(octylthio)pyrimidine-5-carboxylic acid Formula: C15H24N2O2S MolecularWeight: 296.42826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCCCCCCCSC1=NC(=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C15H24N2O2S/c1-4-5-6-7-8-9-10-20-14-13(15(18)19)11(2)16-12(3)17-14/h4-10H2,1-3H3,(H,18,19)