| PDB CCD ID: | A1IC0 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C13 H19 N5 O4 |
| InChI: | InChI=1S/C13H19N5O4/c1-17(2)11-8-12(15-5-14-11)18(6-16-8)13-10(21-3)9(20)7(4-19)22-13/h5-7,9-10,13,19-20H,4H2,1-3H3/t7-,9-,10-,13-/m1/s1 |
| InChIKey: | IPRQAJTUSRLECG-QYVSTXNMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CO[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(ncnc23)N(C)C | | CACTVS 3.385 | CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(ncnc23)N(C)C | | OpenEye OEToolkits 2.0.7 | CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)OC | | OpenEye OEToolkits 2.0.7 | CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC |
|
| Name: | (2~{R},3~{R},4~{R},5~{R})-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxy-oxolan-3-ol |
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