Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ncccc1c4c(c3ccnc(Nc2ccc(OC)cc2)n3)cnn4 |
InChI | InChI | 1.03 | InChI=1S/C19H16N6O/c1-26-15-6-4-14(5-7-15)23-19-21-10-8-17(24-19)16-12-22-25-18(16)13-3-2-9-20-11-13/h2-12H,1H3,(H,22,25)(H,21,23,24) |
InChIKey | InChI | 1.03 | ANTWQGSNXAZMBT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Nc2nccc(n2)c3c[nH]nc3c4cccnc4)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(Nc2nccc(n2)c3c[nH]nc3c4cccnc4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4 |