![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
PDBeChem : Molecule Descriptors
Molecule : OE6
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-14(20)17-19-13-7-2-1-6-12(13)16-18-19/h1-8H,9H2,(H,17,20) |
2 |
InChIKey
|
InChI |
1.06 |
OYXJREXTFZDGLT-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
Clc1cccc(c1)CC(=O)Nn1nnc2ccccc21 |
4 |
SMILES
|
CACTVS |
3.385 |
Clc1cccc(CC(=O)Nn2nnc3ccccc23)c1 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)nnn2NC(=O)Cc3cccc(c3)Cl |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
Clc1cccc(CC(=O)Nn2nnc3ccccc23)c1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)nnn2NC(=O)Cc3cccc(c3)Cl |
|