![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
X4V : Summary
Code ![](/pdbe/static/images/help.png)
|
X4V
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
N~4~,N~4~-dimethylpyridine-2,4-diamine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C7 H11 N3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
137.182 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
CN(C)c1ccnc(c1)N |
SMILES
|
CACTVS |
3.385 |
CN(C)c1ccnc(N)c1 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN(C)c1ccnc(c1)N |
Canonical SMILES
|
CACTVS |
3.385 |
CN(C)c1ccnc(N)c1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN(C)c1ccnc(c1)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H11N3/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3,(H2,8,9) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QEDNABCLVCJRLV-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
21 (10 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)
|
2020-11-30
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-12-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|