![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
X11 : Summary
Code ![](/pdbe/static/images/help.png)
|
X11
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C9 H9 N5 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
203.201 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
n1c(nc(nc1c2c(O)cccc2)N)N |
SMILES
|
CACTVS |
3.370 |
Nc1nc(N)nc(n1)c2ccccc2O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1ccc(c(c1)c2nc(nc(n2)N)N)O |
Canonical SMILES
|
CACTVS |
3.370 |
Nc1nc(N)nc(n1)c2ccccc2O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1ccc(c(c1)c2nc(nc(n2)N)N)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)5-3-1-2-4-6(5)15/h1-4,15H,(H4,10,11,12,13,14) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | UFWLHIVKHDCSHZ-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
24 (15 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2011-02-17
|
Last modified at ![](/pdbe/static/images/help.png)
|
2012-08-03
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|