AGV
Summary
| Name: | (2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol |
| Formula: | C12 H17 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 279.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol |
| OpenEye OEToolkits | 1.7.6 | (2R,3R,4S)-1-[(4-azanyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC3N(Cc2cnc1c2ncnc1N)CC(O)C3O |
| InChI | InChI | 1.03 | InChI=1S/C12H17N5O3/c13-12-10-9(15-5-16-12)6(1-14-10)2-17-3-8(19)11(20)7(17)4-18/h1,5,7-8,11,14,18-20H,2-4H2,(H2,13,15,16)/t7-,8+,11-/m1/s1 |
| InChIKey | InChI | 1.03 | RCLRGJMFVIDWTM-VHSKPIJISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2c(CN3C[C@H](O)[C@H](O)[C@H]3CO)c[nH]c12 |
| SMILES | CACTVS | 3.370 | Nc1ncnc2c(CN3C[CH](O)[CH](O)[CH]3CO)c[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@@H]([C@H]3CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3CO)O)O |
