A1DYA
Summary
| Name: | 1-[(6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one |
| Formula: | C10 H10 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 251.672 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(6-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cc2c(ncnc2[NH]1)NN1CCCC1=O |
| InChI | InChI | 1.06 | InChI=1S/C10H10ClN5O/c11-7-4-6-9(14-7)12-5-13-10(6)15-16-3-1-2-8(16)17/h4-5H,1-3H2,(H2,12,13,14,15) |
| InChIKey | InChI | 1.06 | FOSRELXQUWUHMN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1[nH]c2ncnc(NN3CCCC3=O)c2c1 |
| SMILES | CACTVS | 3.385 | Clc1[nH]c2ncnc(NN3CCCC3=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c2c([nH]c1Cl)ncnc2NN3CCCC3=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c2c([nH]c1Cl)ncnc2NN3CCCC3=O |
