2-cyclopropyl-4-heptylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-cyclopropyl-4-heptylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-heptylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-(heptylthio)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-heptylsulfanyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-(heptylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC(=NC(=C1C(=O)O)C)C2CC2

Isomeric SMILES

CCCCCCCSC1=NC(=NC(=C1C(=O)O)C)C2CC2

InChI

InChI=1S/C16H24N2O2S/c1-3-4-5-6-7-10-21-15-13(16(19)20)11(2)17-14(18-15)12-8-9-12/h12H,3-10H2,1-2H3,(H,19,20)