Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1cc(cc(OC)c1OC)Nc2nccc(n2)N(c3ccc4c(c3)nnc4C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(Nc2nccc(n2)N(C)c3ccc4c([nH]nc4C)c3)cc(OC)c1OC |
SMILES | CACTVS | 3.341 | COc1cc(Nc2nccc(n2)N(C)c3ccc4c([nH]nc4C)c3)cc(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C22H24N6O3/c1-13-16-7-6-15(12-17(16)27-26-13)28(2)20-8-9-23-22(25-20)24-14-10-18(29-3)21(31-5)19(11-14)30-4/h6-12H,1-5H3,(H,26,27)(H,23,24,25) |
InChIKey | InChI | 1.03 | FLXGQDHYCWXTAI-UHFFFAOYSA-N |