A1BAK
Summary
| Name: | (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol |
| Formula: | C10 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 204.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R})-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1CCN(C1)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N4O/c15-7-2-4-14(5-7)10-8-1-3-11-9(8)12-6-13-10/h1,3,6-7,15H,2,4-5H2,(H,11,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | FLFIJNXDDGGTBM-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCN(C1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CCN(C1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CC[C@H](C3)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CCC(C3)O |
