Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)CC5CCN(C)CC5)N |
InChI | InChI | 1.03 | InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27) |
InChIKey | InChI | 1.03 | KONPIFGGWNMOKY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc2cc(ccc2c1)c3nn(CC4CCN(C)CC4)c5ncnc(N)c35 |
SMILES | CACTVS | 3.385 | CCOc1ccc2cc(ccc2c1)c3nn(CC4CCN(C)CC4)c5ncnc(N)c35 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N |