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PDBeChem : Molecule Descriptors
Molecule : UGI
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C18H21F3N6O/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-5-7-28-8-6-26)25-17(24-14)27-3-1-2-4-27/h9-11H,1-8H2,(H2,22,23) |
2 |
InChIKey
|
InChI |
1.03 |
FOSBFIXEYMDXIL-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Nc1cc(c(cn1)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Nc1cc(c(cn1)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F |
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