Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23) |
InChIKey | InChI | 1.03 | CFVWLNQPGCBNKV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(CN4CCOCC4)cc3 |
SMILES | CACTVS | 3.385 | CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(CN4CCOCC4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4 |