H93
Summary
| Name: | 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one |
| Formula: | C11 H15 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 297.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | UTAIYTHAJQNQDW-KQYNXXCUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=Nc2n(cnc2C1=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)N |
| SMILES | CACTVS | 3.385 | CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO)[CH](O)[CH]3O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C1N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)c2c(n(cn2)C3C(C(C(O3)CO)O)O)N=C1N |
