Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Clc1ccc(cc1)Nc2nccc3c2ccc(c3Nc6ncccc6c4ncnc5ncnc45)C |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc4ncccc4c5ncnc6nc[nH]c56 |
SMILES | CACTVS | 3.352 | Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc4ncccc4c5ncnc6nc[nH]c56 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl |
InChI | InChI | 1.03 | InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33) |
InChIKey | InChI | 1.03 | KKVYYGGCHJGEFJ-UHFFFAOYSA-N |