Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NCc1ccc(cc1)NC(=O)c1cc(Nc2ncccn2)c2cc(ccc2c1)C(=N)N |
InChI | InChI | 1.03 | InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30) |
InChIKey | InChI | 1.03 | CSWQJKHBMACTGB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c4cc(ccc4c2)C(N)=N)cc1 |
SMILES | CACTVS | 3.385 | NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c4cc(ccc4c2)C(N)=N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN |