Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1ccccc1c4nc(c(cc4Oc3ccnc(Nc2cc(OC)c(OC)c(OC)c2)c3)C)C |
SMILES_CANONICAL | CACTVS | 3.352 | COc1cc(Nc2cc(Oc3cc(C)c(C)nc3c4ccccn4)ccn2)cc(OC)c1OC |
SMILES | CACTVS | 3.352 | COc1cc(Nc2cc(Oc3cc(C)c(C)nc3c4ccccn4)ccn2)cc(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC |
SMILES | OpenEye OEToolkits | 1.6.1 | Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C26H26N4O4/c1-16-12-21(25(29-17(16)2)20-8-6-7-10-27-20)34-19-9-11-28-24(15-19)30-18-13-22(31-3)26(33-5)23(14-18)32-4/h6-15H,1-5H3,(H,28,30) |
InChIKey | InChI | 1.03 | RNLQQRFAMDEKKT-UHFFFAOYSA-N |