Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(nn2cn1)c1ccccc1)N1CCOCC1 |
InChI | InChI | 1.03 | InChI=1S/C21H20N8O3/c1-27-18(15(12-23-27)21(31)28-7-9-32-10-8-28)20(30)24-16-11-17-25-19(26-29(17)13-22-16)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,24,30) |
InChIKey | InChI | 1.03 | PWLNXLRJJMPAHO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc3cc4nc(nn4cn3)c5ccccc5 |
SMILES | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc3cc4nc(nn4cn3)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCOCC2)C(=O)Nc3cc4nc(nn4cn3)c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCOCC2)C(=O)Nc3cc4nc(nn4cn3)c5ccccc5 |