Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 |
SMILES | CACTVS | 3.341 | NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N |
InChI | InChI | 1.03 | InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) |
InChIKey | InChI | 1.03 | XDRYMKDFEDOLFX-UHFFFAOYSA-N |