Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2 |
SMILES | CACTVS | 3.341 | N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22) |
InChIKey | InChI | 1.03 | LLYYAUZAGCZEKV-UHFFFAOYSA-N |