| PDB CCD ID: | L1J |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C10 H13 N5 O4 |
| InChI: | InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 |
| InChIKey: | YKBGVTZYEHREMT-KVQBGUIXSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO)O3 | | OpenEye OEToolkits 2.0.7 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=C(NC2=O)N | | OpenEye OEToolkits 2.0.7 | c1nc2c(n1C3CC(C(O3)CO)O)N=C(NC2=O)N | | CACTVS 3.385 | NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO)O3 |
|
| Name: | 2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one |
| ChEMBL: | CHEMBL68908 |
| ZINC: | ZINC000000404256 |
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