A1A8X
Summary
| Name: | (1S,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol |
| Formula: | C11 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 218.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1S,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | (1~{S},2~{S})-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1CCCC1Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C11H14N4O/c16-9-3-1-2-8(9)15-11-7-4-5-12-10(7)13-6-14-11/h4-6,8-9,16H,1-3H2,(H2,12,13,14,15)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | JREHIIGFZSIFKV-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCC[C@@H]1Nc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CCC[CH]1Nc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N[C@H]3CCC[C@@H]3O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC3CCCC3O |
