A1BAI
Summary
| Name: | (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol |
| Formula: | C11 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 220.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S},3~{R})-3-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(O)C(CC)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C11H16N4O/c1-3-9(7(2)16)15-11-8-4-5-12-10(8)13-6-14-11/h4-7,9,16H,3H2,1-2H3,(H2,12,13,14,15)/t7-,9+/m0/s1 |
| InChIKey | InChI | 1.06 | VYTCPBZTRGOQDC-IONNQARKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](Nc1ncnc2[nH]ccc12)[C@H](C)O |
| SMILES | CACTVS | 3.385 | CC[CH](Nc1ncnc2[nH]ccc12)[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@H]([C@H](C)O)Nc1c2cc[nH]c2ncn1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(C(C)O)Nc1c2cc[nH]c2ncn1 |
