Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cccnc1)Nc2ccc(cc2)n3nc(cc3CC)c4cccnc4 |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1cc(nn1c2ccc(NC(=O)c3cccnc3)cc2)c4cccnc4 |
SMILES | CACTVS | 3.370 | CCc1cc(nn1c2ccc(NC(=O)c3cccnc3)cc2)c4cccnc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4 |
InChI | InChI | 1.03 | InChI=1S/C22H19N5O/c1-2-19-13-21(16-5-3-11-23-14-16)26-27(19)20-9-7-18(8-10-20)25-22(28)17-6-4-12-24-15-17/h3-15H,2H2,1H3,(H,25,28) |
InChIKey | InChI | 1.03 | CCAFHMPMIJBDRP-UHFFFAOYSA-N |