4-heptylsulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-heptylsulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-heptylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(heptylthio)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-heptylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(heptylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S/c1-3-4-5-6-7-8-19-11-10(12(16)17)9(2)14-13(18)15-11/h3-8H2,1-2H3,(H,16,17)(H,14,15,18)