Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#CC1(CC1)c1cccc2cnc(nc12)Nc1cnn(C2CCOCC2)c1C |
InChI | InChI | 1.03 | InChI=1S/C21H22N6O/c1-14-18(12-24-27(14)16-5-9-28-10-6-16)25-20-23-11-15-3-2-4-17(19(15)26-20)21(13-22)7-8-21/h2-4,11-12,16H,5-10H2,1H3,(H,23,25,26) |
InChIKey | InChI | 1.03 | NSRPXCKUNCQCDO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(ncc1Nc2ncc3cccc(c3n2)C4(CC4)C#N)C5CCOCC5 |
SMILES | CACTVS | 3.385 | Cc1n(ncc1Nc2ncc3cccc(c3n2)C4(CC4)C#N)C5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5(CC5)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5(CC5)C#N |