A1PRN
Summary
| Name: | (2R)-1-methoxy-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol |
| Formula: | C11 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 236.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-1-methoxy-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-1-methoxy-2-methyl-3-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(O)(COC)CNc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C11H16N4O2/c1-11(16,6-17-2)5-13-10-8-3-4-12-9(8)14-7-15-10/h3-4,7,16H,5-6H2,1-2H3,(H2,12,13,14,15)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | XHNUASMHKOEWSI-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC[C@](C)(O)CNc1ncnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | COC[C](C)(O)CNc1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@](CNc1c2cc[nH]c2ncn1)(COC)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(CNc1c2cc[nH]c2ncn1)(COC)O |
