| PDB CCD ID: | DJ2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H14 N6 O4 |
| InChI: | InChI=1S/C10H14N6O4/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(20-10)1-19-12/h2-4,6-7,10,17-18H,1,12H2,(H2,11,13,14)/t4-,6-,7-,10-/m1/s1 |
| InChIKey: | NHSVFFNZROZDBB-KQYNXXCUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CON)O)O)N | | CACTVS 3.385 | NOC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | | CACTVS 3.385 | NOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 | | OpenEye OEToolkits 2.0.6 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N |
|
| Name: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol |
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