A1DYR
Summary
| Name: | (3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one |
| Formula: | C11 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 231.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R})-3-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NCCCC1Nc1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C11H13N5O/c17-11-8(2-1-4-13-11)16-10-7-3-5-12-9(7)14-6-15-10/h3,5-6,8H,1-2,4H2,(H,13,17)(H2,12,14,15,16)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | BFUJZDJXLFTPHV-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCC[C@H]1Nc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O=C1NCCC[CH]1Nc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N[C@@H]3CCCNC3=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC3CCCNC3=O |
