Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1nc(NC2CC2)cc(c1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C21H17ClN6O/c22-17-10-14(11-18(25-17)23-15-6-7-15)21(29)24-16-8-9-28-19(12-16)26-20(27-28)13-4-2-1-3-5-13/h1-5,8-12,15H,6-7H2,(H,23,25)(H,24,29) |
InChIKey | InChI | 1.03 | VDZMLBAIUXWXLA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(cc(NC2CC2)n1)C(=O)Nc3ccn4nc(nc4c3)c5ccccc5 |
SMILES | CACTVS | 3.385 | Clc1cc(cc(NC2CC2)n1)C(=O)Nc3ccn4nc(nc4c3)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4cc(nc(c4)Cl)NC5CC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4cc(nc(c4)Cl)NC5CC5 |