Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(Nc2nc(c1nncn1C(C)C)ccc2)(c3cn(nc3OC)c4cnccn4)=O |
InChI | InChI | 1.03 | InChI=1S/C19H19N9O2/c1-12(2)27-11-22-25-17(27)14-5-4-6-15(23-14)24-18(29)13-10-28(26-19(13)30-3)16-9-20-7-8-21-16/h4-12H,1-3H3,(H,23,24,29) |
InChIKey | InChI | 1.03 | FTPVMITWJIXRGQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1nn(cc1C(=O)Nc2cccc(n2)c3nncn3C(C)C)c4cnccn4 |
SMILES | CACTVS | 3.385 | COc1nn(cc1C(=O)Nc2cccc(n2)c3nncn3C(C)C)c4cnccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4 |