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

Systemtic Name: 2,4-dimethyl-6-nonylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-nonylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-(nonylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-nonylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-(nonylthio)pyrimidine-5-carboxylic acid Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC(=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCCCCCCCCSC1=NC(=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C16H26N2O2S/c1-4-5-6-7-8-9-10-11-21-15-14(16(19)20)12(2)17-13(3)18-15/h4-11H2,1-3H3,(H,19,20)