Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(cc(n2ncc(c12)C3CC3)NCc4cccnc4)c5ccccc5 |
SMILES_CANONICAL | CACTVS | 3.341 | C1CC1c2cnn3c(NCc4cccnc4)cc(nc23)c5ccccc5 |
SMILES | CACTVS | 3.341 | C1CC1c2cnn3c(NCc4cccnc4)cc(nc23)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5 |
InChI | InChI | 1.03 | InChI=1S/C21H19N5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16/h1-7,10-12,14,16,23H,8-9,13H2 |
InChIKey | InChI | 1.03 | CCDIUVLNHCGSMH-UHFFFAOYSA-N |