UA2
Summary
| Name: | 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R |
| Formula: | C11 H15 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 265.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| OpenEye OEToolkits | 1.7.6 | (2S,3S,4R,5R)-2-(4-azanyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC3C(c2c1ncnc(N)c1nc2)NC(CO)C3O |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | AMFDITJFBUXZQN-KUBHLMPHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2c1[nH]cc2[C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.370 | Nc1ncnc2c1[nH]cc2[CH]3N[CH](CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(c2c([nH]1)c(ncn2)N)C3C(C(C(N3)CO)O)O |
