2-[[4-methyl-6-oxidanylidene-5-(2-propylsulfanylethyl)-5H-pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-methyl-6-oxidanylidene-5-(2-propylsulfanylethyl)-5H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-6-oxo-5-(2-propylsulfanylethyl)-5H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-6-oxo-5-[2-(propylthio)ethyl]-5H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-6-oxo-5-(2-propylsulfanylethyl)-5H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-6-methyl-5-[2-(propylthio)ethyl]-5H-pyrimidin-2-yl]thio]acetic acid Formula: C12H18N2O3S2 MolecularWeight: 302.41292

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCC1C(=NC(=NC1=O)SCC(=O)O)C

Isomeric SMILES

CCCSCCC1C(=NC(=NC1=O)SCC(=O)O)C

InChI

InChI=1S/C12H18N2O3S2/c1-3-5-18-6-4-9-8(2)13-12(14-11(9)17)19-7-10(15)16/h9H,3-7H2,1-2H3,(H,15,16)