Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12nc(nc(c1cc(c(c2)OC)OC)NC3CCN(CC3)C)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23) |
InChIKey | InChI | 1.03 | MEVMMQQJOXBSAX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N4CCOCC4 |
SMILES | CACTVS | 3.385 | COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC |