種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc4ccccc4c3nc(c2nnc1c(OC)cc(OC)cc1n23)C |
InChI | InChI | 1.03 | InChI=1S/C18H15ClN4O2/c1-10-17-22-21-16-14(8-11(24-2)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-13(12)19/h4-9H,1-3H3 |
InChIKey | InChI | 1.03 | ZXGQTWGCVTUQHJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(OC)c2nnc3n(c2c1)c(nc3C)c4ccccc4Cl |
SMILES | CACTVS | 3.370 | COc1cc(OC)c2nnc3n(c2c1)c(nc3C)c4ccccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC |