Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(N(Cc1ncccc1)Cc2ccccn2)cc(c3ccc(OC)cc3)nc(n4)N |
InChI | InChI | 1.03 | InChI=1S/C23H22N6O/c1-30-20-10-8-17(9-11-20)21-14-22(28-23(24)27-21)29(15-18-6-2-4-12-25-18)16-19-7-3-5-13-26-19/h2-14H,15-16H2,1H3,(H2,24,27,28) |
InChIKey | InChI | 1.03 | FIGQTBBMNODYCB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2cc(nc(N)n2)N(Cc3ccccn3)Cc4ccccn4 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2cc(nc(N)n2)N(Cc3ccccn3)Cc4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 |
SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 |