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

Systemtic Name: 4-hexylsulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-hexylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(hexylthio)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-hexylsulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(hexylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=O)NC(=C1C(=O)O)C

Isomeric SMILES

CCCCCCSC1=NC(=O)NC(=C1C(=O)O)C

InChI

InChI=1S/C12H18N2O3S/c1-3-4-5-6-7-18-10-9(11(15)16)8(2)13-12(17)14-10/h3-7H2,1-2H3,(H,15,16)(H,13,14,17)