ZJB
Summary
| 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 |
| Formula: | C13 H16 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 320.304 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | HOGVTUZUJGHKPL-HTVVRFAVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c4ncnc1c24 |
| SMILES | CACTVS | 3.385 | CN1N=C(N)c2cn([CH]3O[CH](CO)[CH](O)[CH]3O)c4ncnc1c24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1c2c3c(cn(c3ncn2)C4C(C(C(O4)CO)O)O)C(=N1)N |
