Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1oc(nc1CCNC(=O)Nc1ccnn1c1ccccc1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C22H21N5O2/c1-16-19(25-21(29-16)17-8-4-2-5-9-17)12-14-23-22(28)26-20-13-15-24-27(20)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,23,26,28) |
InChIKey | InChI | 1.03 | AMILEAAZPFQVCZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nc1CCNC(=O)Nc2ccnn2c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1oc(nc1CCNC(=O)Nc2ccnn2c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccccc2)CCNC(=O)Nc3ccnn3c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccccc2)CCNC(=O)Nc3ccnn3c4ccccc4 |