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

Systemtic Name: 6-methyl-4-octylsulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-octylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(octylthio)-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-octylsulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-(octylthio)-1H-pyrimidine-5-carboxylic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3S/c1-3-4-5-6-7-8-9-20-12-11(13(17)18)10(2)15-14(19)16-12/h3-9H2,1-2H3,(H,17,18)(H,15,16,19)