Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc4ccccc4c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C23H18N4O2/c28-22(29)17-10-12-18(13-11-17)25-23-24-15-14-21(27-23)26-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-15H,(H,28,29)(H2,24,25,26,27) |
InChIKey | InChI | 1.03 | RSUKUXYTJJCQKG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(Nc2nccc(Nc3ccccc3c4ccccc4)n2)cc1 |
SMILES | CACTVS | 3.370 | OC(=O)c1ccc(Nc2nccc(Nc3ccccc3c4ccccc4)n2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O |