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PDBeChem : Molecule Descriptors
Molecule : OG2
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C13H23N3/c1-2-15-12(14)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H3,14,15,16)/t9-,10+,11-,13- |
2 |
InChIKey
|
InChI |
1.03 |
VGBFQSVFIIHEDN-DNSLJTBWSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCNC(=N)NC12CC3CC(CC(C3)C1)C2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCNC(=N)NC12CC3CC(C1)CC(C3)C2 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCNC(=N)NC12CC3CC(CC(C3)C1)C2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
[H]/N=C(\NCC)/NC12CC3CC(C1)CC(C3)C2 |
|