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

Systemtic Name: 1-[2-azanyl-1-ethylsulfanyl-3,4,5,6-tetrakis(oxidanyl)hexyl]-5-methyl-pyrimidine-2,4-dione hydrochloride Openeye Name: 1-(2-amino-1-ethylsulfanyl-3,4,5,6-tetrahydroxy-hexyl)-5-methyl-pyrimidine-2,4-dione hydrochloride CAS Name: 1-[2-amino-1-(ethylthio)-3,4,5,6-tetrahydroxyhexyl]-5-methylpyrimidine-2,4-dione hydrochloride IUPAC Name: 1-(2-amino-1-ethylsulfanyl-3,4,5,6-tetrahydroxyhexyl)-5-methylpyrimidine-2,4-dione hydrochloride Traditional Name: 1-[2-amino-1-(ethylthio)-3,4,5,6-tetrahydroxy-hexyl]-5-methyl-pyrimidine-2,4-quinone hydrochloride Formula: C13H24ClN3O6S MolecularWeight: 385.86416

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(C(C(CO)O)O)O)N)N1C=C(C(=O)NC1=O)C.Cl

Isomeric SMILES

CCSC(C(C(C(C(CO)O)O)O)N)N1C=C(C(=O)NC1=O)C.Cl

InChI

InChI=1S/C13H23N3O6S.ClH/c1-3-23-12(8(14)10(20)9(19)7(18)5-17)16-4-6(2)11(21)15-13(16)22;/h4,7-10,12,17-20H,3,5,14H2,1-2H3,(H,15,21,22);1H