1-[1-ethylsulfanyl-2,3,4,5,6-pentakis(oxidanyl)hexyl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[1-ethylsulfanyl-2,3,4,5,6-pentakis(oxidanyl)hexyl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxy-hexyl)-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[1-(ethylthio)-2,3,4,5,6-pentahydroxyhexyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)-5-methylpyrimidine-2,4-dione Traditional Name: 1-[1-(ethylthio)-2,3,4,5,6-pentahydroxy-hexyl]-5-methyl-pyrimidine-2,4-quinone Formula: C13H22N2O7S MolecularWeight: 350.38798

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(C(C(CO)O)O)O)O)N1C=C(C(=O)NC1=O)C

Isomeric SMILES

CCSC(C(C(C(C(CO)O)O)O)O)N1C=C(C(=O)NC1=O)C

InChI

InChI=1S/C13H22N2O7S/c1-3-23-12(10(20)9(19)8(18)7(17)5-16)15-4-6(2)11(21)14-13(15)22/h4,7-10,12,16-20H,3,5H2,1-2H3,(H,14,21,22)