Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H26N8O/c22-13-18-24-20(27-9-11-30-12-10-27)26-21(25-18)29(17-5-1-2-6-17)15-16-14-28-8-4-3-7-19(28)23-16/h3-4,7-8,13-14,17,22H,1-2,5-6,9-12,15H2/b22-13+ |
InChIKey | InChI | 1.03 | DGSRSTVIVXXYMJ-LPYMAVHISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N=Cc1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5 |
SMILES | CACTVS | 3.385 | N=Cc1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C/c1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccn2cc(nc2c1)CN(c3nc(nc(n3)N4CCOCC4)C=N)C5CCCC5 |