Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)C(=[N@H])N)CCOCCOc2ccc(C(=[N@H])N)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(OCCOCCOc2ccc(cc2)C(N)=N)cc1 |
SMILES | CACTVS | 3.341 | NC(=N)c1ccc(OCCOCCOc2ccc(cc2)C(N)=N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)/N |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)N |
InChI | InChI | 1.03 | InChI=1S/C18H22N4O3/c19-17(20)13-1-5-15(6-2-13)24-11-9-23-10-12-25-16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22) |
InChIKey | InChI | 1.03 | RUGJWTYDBUIXNX-UHFFFAOYSA-N |