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

Systemtic Name: 1-[2-azanyl-1-ethylsulfanyl-3,4,5,6-tetrakis(oxidanyl)hexyl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-(2-amino-1-ethylsulfanyl-3,4,5,6-tetrahydroxy-hexyl)-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[2-amino-1-(ethylthio)-3,4,5,6-tetrahydroxyhexyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-(2-amino-1-ethylsulfanyl-3,4,5,6-tetrahydroxyhexyl)-5-methylpyrimidine-2,4-dione Traditional Name: 1-[2-amino-1-(ethylthio)-3,4,5,6-tetrahydroxy-hexyl]-5-methyl-pyrimidine-2,4-quinone Formula: C13H23N3O6S MolecularWeight: 349.40322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O6S/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)