Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(cn2)C3C(O)C(C(O3)CO)O)N4CCN(CC4)c5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1 |
InChIKey | InChI | 1.03 | FVRJZHPJEJJPPT-WVSUBDOOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(ncnc23)N4CCN(CC4)c5ccccc5 |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(ncnc23)N4CCN(CC4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)C5C(C(C(O5)CO)O)O |