Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H24N6/c1-17(18-7-8-22(25-14-18)28-9-4-5-10-28)27-20-12-19(13-24-15-20)21-16-26-23-6-2-3-11-29(21)23/h2-3,6-8,11-17,27H,4-5,9-10H2,1H3/t17-/m1/s1 |
InChIKey | InChI | 1.06 | XVRRLWMWIRHFPC-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5 |
SMILES | CACTVS | 3.385 | C[CH](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5 |