| PDB CCD ID: | 5AE |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H12 N4 O5 |
| InChI: | InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1 |
| InChIKey: | NMUSYJAQQFHJEW-KVTDHHQDSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O | | OpenEye OEToolkits 1.7.6 | C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N | | CACTVS 3.385 | NC1=NC(=O)N(C=N1)[CH]2O[CH](CO)[CH](O)[CH]2O | | OpenEye OEToolkits 1.7.6 | C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N | | ACDLabs 12.01 | O=C1N=C(N=CN1C2OC(C(O)C2O)CO)N |
|
| Name: | 4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one;
5-azacytidine |
| ChEMBL: | CHEMBL1489 |
| DrugBank: | DB00928 |
| ZINC: | ZINC000003861768 |
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