| PDB CCD ID: | R1Y |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C8 H13 N5 O4 |
| InChI: | InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1 |
| InChIKey: | NHKZSTHOYNWEEZ-AFCXAGJDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | [H]/N=C(\c1ncn(n1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)/N | | CACTVS 3.385 | NC(=N)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O | | CACTVS 3.385 | NC(=N)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O | | OpenEye OEToolkits 2.0.7 | c1nc(nn1C2C(C(C(O2)CO)O)O)C(=N)N | | ACDLabs 12.01 | N=C(N)c1ncn(n1)C1OC(CO)C(O)C1O |
|
| Name: | 1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide |
| ChEMBL: | CHEMBL2111108 |
| DrugBank: | DB06408 |
| ZINC: | ZINC000003781686 |
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