Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(nc1CCc1nc2ccccc2nc1C)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C21H20N4/c1-15-17(23-19-11-7-6-10-18(19)22-15)12-13-21-24-20(14-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3 |
InChIKey | InChI | 1.03 | UAOCQIAPVSVHRD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1CCc2nc3ccccc3nc2C)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cn1cc(nc1CCc2nc3ccccc3nc2C)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)CCc3nc(cn3C)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)CCc3nc(cn3C)c4ccccc4 |