A1A6O
Summary
| Name: | (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol |
| Formula: | C10 H11 F N4 O |
| Formal charge: | 0 |
| Formula weight: | 222.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R},4~{R})-4-fluoranyl-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC1CN(CC1O)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C10H11FN4O/c11-7-3-15(4-8(7)16)10-6-1-2-12-9(6)13-5-14-10/h1-2,5,7-8,16H,3-4H2,(H,12,13,14)/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.06 | KOJIXPOIZSXHRQ-HTQZYQBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CN(C[C@H]1F)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CN(C[CH]1F)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3C[C@H]([C@@H](C3)F)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CC(C(C3)F)O |
