PYRITHIAMIN PYROPHOSPHATE

Molecular Formula: C₁₄H₂₁N₄O₇P₂⁺

InChI: InChI=1/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1/fC14H21N4O7P2/h19-20,22H,15H2/q+1

InChIKey: InChIKey=ZHKSTKOYQKNDSJ-PLSYZFMQCX
SMILES: CC1=C(C=CC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O

Names:
    PYI
    PYRITHIAMIN PYROPHOSPHATE
    1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY
    [2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-6-methyl-pyridin-5-yl]ethoxy-hydroxy-phosphoryl]oxyphosphonic acid

Registries:
    PubChem CID 5327150
    PubChem ID 8142749