Ibacitabine

Molecular Formula: C₉H₁₂IN₃O₄

InChI: InChI=1/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1/f/h11H2

InChIKey: InChIKey=WEVJJMPVVFNAHZ-BPZCCIBCDA
SMILES: C1C(C(OC1N2C=C(C(=NC2=O)N)I)CO)O

Names:
    AI3-62629
    CCRIS 2826
    EINECS 210-269-8
    Ibacitabina [Spanish]
    Ibacitabine [INN]
    Ibacitabine
    Ibacitabinum [Latin]
    NSC 527083
    2'-Deoxy-5-iodocytidine
    4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-pyrimidin-2-one
    5-Iodo-2'-deoxycytidine

Registries:
    PubChem CID 65050
    PubChem ID 207002