Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(nc1CCNC(=O)c1cccn2c1nnc2C(C)C)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C22H24N6O/c1-15(2)20-25-26-21-17(10-7-13-28(20)21)22(29)23-12-11-19-24-18(14-27(19)3)16-8-5-4-6-9-16/h4-10,13-15H,11-12H2,1-3H3,(H,23,29) |
InChIKey | InChI | 1.03 | CQOQVKFNKUQNCP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1nnc2n1cccc2C(=O)NCCc3nc(cn3C)c4ccccc4 |
SMILES | CACTVS | 3.385 | CC(C)c1nnc2n1cccc2C(=O)NCCc3nc(cn3C)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1nnc2n1cccc2C(=O)NCCc3nc(cn3C)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1nnc2n1cccc2C(=O)NCCc3nc(cn3C)c4ccccc4 |