Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H19N7O3/c21-9-13-1-2-17-22-10-15(26(17)12-13)18-23-11-16-19(24-18)27(14-3-7-30-8-4-14)20(29)25(16)5-6-28/h1-2,10-12,14,28H,3-8H2 |
InChIKey | InChI | 1.03 | RJIVCYWQVNETLQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCN1C(=O)N(C2CCOCC2)c3nc(ncc13)c4cnc5ccc(cn45)C#N |
SMILES | CACTVS | 3.385 | OCCN1C(=O)N(C2CCOCC2)c3nc(ncc13)c4cnc5ccc(cn45)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5 |