![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
PDBeChem : Molecule Descriptors
Molecule : LEK
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C19H19N3S/c1-3-22-18-7-4-13(10-20-2)8-16(18)15-6-5-14(9-19(15)22)17-11-23-12-21-17/h4-9,11-12,20H,3,10H2,1-2H3 |
2 |
InChIKey
|
InChI |
1.03 |
BYZRRANZUUJGLQ-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCn1c2ccc(CNC)cc2c3ccc(cc13)c4cscn4 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCn1c2ccc(CNC)cc2c3ccc(cc13)c4cscn4 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC |
|