Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)C(=[N@H])N)CCCCCCOc2ccc(C(=[N@H])N)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 |
SMILES | CACTVS | 3.341 | NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N |
InChI | InChI | 1.03 | InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24) |
InChIKey | InChI | 1.03 | OQLKNTOKMBVBKV-UHFFFAOYSA-N |