A1BBY
Summary
| Name: | (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol |
| Formula: | C10 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 206.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S},3~{R})-3-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(O)C(C)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.06 | NQVAINCTHXPPAZ-RQJHMYQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)[C@@H](C)Nc1ncnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](C)Nc1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]([C@H](C)O)Nc1c2cc[nH]c2ncn1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C(C)O)Nc1c2cc[nH]c2ncn1 |
