Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H21N5/c24-12-5-7-16-6-4-8-17(14-16)23-27-20-15-26-22-19(11-13-25-22)21(20)28(23)18-9-2-1-3-10-18/h4-8,11,13-15,18H,1-3,9-10H2,(H,25,26)/b7-5+ |
InChIKey | InChI | 1.03 | JIDRJSPIWPPOBL-FNORWQNLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N#C\C=C\c1cccc(c1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5 |
SMILES | CACTVS | 3.385 | N#CC=Cc1cccc(c1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)/C=C/C#N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C=CC#N |