Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1nccc(c1Cl)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C18H11Cl2N5O/c19-15-13(6-8-21-16(15)20)18(26)22-12-7-9-25-14(10-12)23-17(24-25)11-4-2-1-3-5-11/h1-10H,(H,22,26) |
InChIKey | InChI | 1.03 | ZOMFEZZBRUREBY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1nccc(C(=O)Nc2ccn3nc(nc3c2)c4ccccc4)c1Cl |
SMILES | CACTVS | 3.385 | Clc1nccc(C(=O)Nc2ccn3nc(nc3c2)c4ccccc4)c1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4ccnc(c4Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4ccnc(c4Cl)Cl |