![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
4AN : Summary
Code ![](/pdbe/static/images/help.png)
|
4AN
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE
|
Synonyms ![](/pdbe/static/images/help.png)
|
4-AMINO-1,8-NAPHTHALIMIDE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C12 H8 N2 O2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
212.204 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C2c1c3c(c(cc1)N)cccc3C(=O)N2 |
SMILES
|
CACTVS |
3.341 |
Nc1ccc2C(=O)NC(=O)c3cccc1c23 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N |
Canonical SMILES
|
CACTVS |
3.341 |
Nc1ccc2C(=O)NC(=O)c3cccc1c23 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SSMIFVHARFVINF-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
24 (16 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)
|
1999-07-08
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-06-17
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|