![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
JXH : Summary
Code ![](/pdbe/static/images/help.png)
|
JXH
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C10 H12 Br N5 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
298.139 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
Nc1ncnc2n([CH]3CCCCO3)c(Br)nc12 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1nc(c2c(n1)n(c(n2)Br)C3CCCCO3)N |
Canonical SMILES
|
CACTVS |
3.385 |
Nc1ncnc2n([C@H]3CCCCO3)c(Br)nc12 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1nc(c2c(n1)n(c(n2)Br)[C@H]3CCCCO3)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H12BrN5O/c11-10-15-7-8(12)13-5-14-9(7)16(10)6-3-1-2-4-17-6/h5-6H,1-4H2,(H2,12,13,14)/t6-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FIUISBLUSBJAII-ZCFIWIBFSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
29 (17 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)
|
2019-04-11
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-02-14
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|