Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C26H27N7O3/c1-34-11-10-32-16-20(14-28-32)23-15-27-25(31-8-12-35-13-9-31)26-29-21(17-33(23)26)18-36-24-7-6-19-4-2-3-5-22(19)30-24/h2-7,14-17H,8-13,18H2,1H3 |
InChIKey | InChI | 1.03 | FTYUTNBYQHNWNV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24 |
SMILES | CACTVS | 3.385 | COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6 |
SMILES | OpenEye OEToolkits | 2.0.5 | COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6 |