| PDB CCD ID: | 7D7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H13 N5 O3 |
| InChI: | InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1 |
| InChIKey: | LMJVXGOFWKVXAW-OXOINMOOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N | | OpenEye OEToolkits 2.0.6 | c1nc(c2c(n1)n(cn2)C3C(C(O3)CO)CO)N | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]3CO | | ACDLabs 12.01 | O1C(C(C1CO)CO)n2c3c(nc2)c(N)ncn3 | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H]3CO |
|
| Name: | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol;
OXETANOCIN |
| ChEMBL: | CHEMBL116430 |
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