Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cn(C)nc1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCOCC1 |
InChI | InChI | 1.03 | InChI=1S/C24H21N7O3/c1-29-14-18(24(33)30-7-9-34-10-8-30)22(28-29)23(32)27-19-11-21-26-20(16-5-3-2-4-6-16)15-31(21)13-17(19)12-25/h2-6,11,13-15H,7-10H2,1H3,(H,27,32) |
InChIKey | InChI | 1.03 | AUIFPDZDQMKKNE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C(=O)N2CCOCC2)c(n1)C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5 |
SMILES | CACTVS | 3.385 | Cn1cc(C(=O)N2CCOCC2)c(n1)C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)C(=O)Nc2cc3nc(cn3cc2C#N)c4ccccc4)C(=O)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)C(=O)Nc2cc3nc(cn3cc2C#N)c4ccccc4)C(=O)N5CCOCC5 |