Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H23N5O4/c1-27-16-9-14(10-17(28-2)18(16)29-3)19(26)24-8-4-5-13(11-24)15-6-7-21-20-22-12-23-25(15)20/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | QRHYHQMFAMRYKQ-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)C(=O)N2CCC[C@@H](C2)c3ccnc4ncnn34 |
SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)C(=O)N2CCC[CH](C2)c3ccnc4ncnn34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3ncn4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)C(=O)N2CCCC(C2)c3ccnc4n3ncn4 |