Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1nccc(c1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C18H12ClN5O/c19-15-10-13(6-8-20-15)18(25)21-14-7-9-24-16(11-14)22-17(23-24)12-4-2-1-3-5-12/h1-11H,(H,21,25) |
InChIKey | InChI | 1.03 | HQTXKSXQXTUSOK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(ccn1)C(=O)Nc2ccn3nc(nc3c2)c4ccccc4 |
SMILES | CACTVS | 3.385 | Clc1cc(ccn1)C(=O)Nc2ccn3nc(nc3c2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4ccnc(c4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4ccnc(c4)Cl |