| PDB CCD ID: | ZJB |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C13 H16 N6 O4 |
| InChI: | InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1 |
| InChIKey: | HOGVTUZUJGHKPL-HTVVRFAVSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1N=C(N)c2cn([CH]3O[CH](CO)[CH](O)[CH]3O)c4ncnc1c24 | | OpenEye OEToolkits 1.7.6 | CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N | | OpenEye OEToolkits 1.7.6 | CN1c2c3c(cn(c3ncn2)C4C(C(C(O4)CO)O)O)C(=N1)N | | CACTVS 3.385 | CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c4ncnc1c24 |
|
| Name: | (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL |
| ChEMBL: | CHEMBL331237 |
| DrugBank: | DB12405 |
| ZINC: | ZINC000003808299 |
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