Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1ccc(nc1N(C2CCCCC2)C)c3cnc4ccccn34 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C1CCCCC1)c2nccc(n2)c3cnc4ccccn34 |
SMILES | CACTVS | 3.341 | CN(C1CCCCC1)c2nccc(n2)c3cnc4ccccn34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3 |
InChIKey | InChI | 1.03 | HYNNWLVWJXWXFO-UHFFFAOYSA-N |