種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2(cc(c1c(OC)cccc1)nc(n2)N)N(Cc3ncccc3)Cc4ncccc4 |
InChI | InChI | 1.03 | InChI=1S/C23H22N6O/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28) |
InChIKey | InChI | 1.03 | BOPSVMQMLOGQBG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1c2cc(nc(N)n2)N(Cc3ccccn3)Cc4ccccn4 |
SMILES | CACTVS | 3.385 | COc1ccccc1c2cc(nc(N)n2)N(Cc3ccccn3)Cc4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 |
SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4 |