A1DSF
Summary
| Name: | (3R)-1-(propan-2-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one |
| Formula: | C13 H17 N5 O |
| Formal charge: | 0 |
| Formula weight: | 259.307 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-1-(propan-2-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R})-1-propan-2-yl-3-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)N1CCC(Nc2ncnc3[NH]ccc23)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C13H17N5O/c1-8(2)18-6-4-10(13(18)19)17-12-9-3-5-14-11(9)15-7-16-12/h3,5,7-8,10H,4,6H2,1-2H3,(H2,14,15,16,17)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | CTSRUJKMLINLJK-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1CC[C@@H](Nc2ncnc3[nH]ccc23)C1=O |
| SMILES | CACTVS | 3.385 | CC(C)N1CC[CH](Nc2ncnc3[nH]ccc23)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)N1CC[C@H](C1=O)Nc2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)N1CCC(C1=O)Nc2c3cc[nH]c3ncn2 |
