Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1nncn1C1CC1)C1CCOc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C15H16N4O2/c20-14(17-15-18-16-9-19(15)10-5-6-10)12-7-8-21-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,18,20)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | BMUGFKLSYMKHTP-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1nncn1C2CC2)[C@@H]3CCOc4ccccc34 |
SMILES | CACTVS | 3.385 | O=C(Nc1nncn1C2CC2)[CH]3CCOc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@@H](CCO2)C(=O)Nc3nncn3C4CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(CCO2)C(=O)Nc3nncn3C4CC4 |