Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c4c(c(nc1N2CCOCC2)c3cccc(O)c3)CCN4c6ccc5ncnc5c6 |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1cccc(c1)c2nc(nc3N(CCc23)c4ccc5[nH]cnc5c4)N6CCOCC6 |
SMILES | CACTVS | 3.370 | Oc1cccc(c1)c2nc(nc3N(CCc23)c4ccc5[nH]cnc5c4)N6CCOCC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)O)c2c3c(nc(n2)N4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)O)c2c3c(nc(n2)N4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6 |
InChI | InChI | 1.03 | InChI=1S/C23H22N6O2/c30-17-3-1-2-15(12-17)21-18-6-7-29(16-4-5-19-20(13-16)25-14-24-19)22(18)27-23(26-21)28-8-10-31-11-9-28/h1-5,12-14,30H,6-11H2,(H,24,25) |
InChIKey | InChI | 1.03 | NBBUAPYZXMAOGM-UHFFFAOYSA-N |