1-[1-ethylsulfanyl-2,3,4,5-tetrakis(oxidanyl)pentyl]-5-fluoranyl-pyrimidine-2,4-dione

Systemtic Name: 1-[1-ethylsulfanyl-2,3,4,5-tetrakis(oxidanyl)pentyl]-5-fluoranyl-pyrimidine-2,4-dione Openeye Name: 1-(1-ethylsulfanyl-2,3,4,5-tetrahydroxy-pentyl)-5-fluoro-pyrimidine-2,4-dione CAS Name: 1-[1-(ethylthio)-2,3,4,5-tetrahydroxypentyl]-5-fluoropyrimidine-2,4-dione IUPAC Name: 1-(1-ethylsulfanyl-2,3,4,5-tetrahydroxypentyl)-5-fluoropyrimidine-2,4-dione Traditional Name: 1-[1-(ethylthio)-2,3,4,5-tetrahydroxy-pentyl]-5-fluoro-pyrimidine-2,4-quinone Formula: C22H34F2N4O12S2 MolecularWeight: 648.651766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H17FN2O6S/c2*1-2-21-10(8(18)7(17)6(16)4-15)14-3-5(12)9(19)13-11(14)20/h2*3,6-8,10,15-18H,2,4H2,1H3,(H,13,19,20)