[[(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxo-butyl)sulfanyl-purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

Molecular Formula: C14H18BrN5O12P2S


InChI: InChI=1/C14H18BrN5O12P2S/c15-1-5(21)6(22)3-35-14-19-8-11(16)17-4-18-12(8)20(14)13-10(24)9(23)7(31-13)2-30-34(28,29)32-33(25,26)27/h4,7,9-10,13,23-24H,1-3H2,(H,28,29)(H2,16,17,18)(H2,25,26,27)/t7-,9-,10-,13-/m1/s1/f/h25-26,28H,16H2

InChIKey: InChIKey=XCWZPSOJYVIEHY-FYVYRCOQDP
SMILES: C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)SCC(=O)C(=O)CBr

Names:
    [[(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxo-butyl)sulfanyl-purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

Registries:
    PubChem CID 130791
    PubChem ID 10242713