QY0
Summary
| Name: | (1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol |
| Formula: | C12 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 232.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S})-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1CCCCC1Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N4O/c17-10-4-2-1-3-9(10)16-12-8-5-6-13-11(8)14-7-15-12/h5-7,9-10,17H,1-4H2,(H2,13,14,15,16)/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | FIVRTGMLMASIKD-VHSXEESVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCCC[C@@H]1Nc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCC[CH]1Nc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N[C@H]3CCCC[C@H]3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)NC3CCCCC3O |
