Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H24N6O/c1-28-13-11-17(12-14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H2,24,25,26) |
InChIKey | InChI | 1.06 | KHLKLLMMPVSSQY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 |
SMILES | CACTVS | 3.385 | CN1CCC(CC1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCC(CC1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC(CC1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N |