(Q27455781)

SCHEMBL14946156 (English)

19 October 2016

chemical formula

C₉H₁₃IN₃O₈P

1 reference

SCHEMBL14946156 (English)

19 October 2016

canonical SMILES

C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)I

1 reference

SCHEMBL14946156 (English)

19 October 2016

isomeric SMILES

C1=C(C(=NC(=O)N1[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)I

1 reference

SCHEMBL14946156 (English)

InChI=1S/C9H13IN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6?,8-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL14946156 (English)

CIUBKYYOJNFMQN-XTSMLKGCSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL14946156 (English)

19 October 2016

2 references

SCHEMBL14946156 (English)

matched by identifier from

19 October 2016

InChIKey

CIUBKYYOJNFMQN-XTSMLKGCSA-N

1 reference

0 references

1 reference

1JZV (English)