A1A8L
Summary
| Name: | (2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butane-1,4-diol |
| Formula: | C10 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 222.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butane-1,4-diol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCCC(CO)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N4O2/c15-4-2-7(5-16)14-10-8-1-3-11-9(8)12-6-13-10/h1,3,6-7,15-16H,2,4-5H2,(H2,11,12,13,14)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | CWUZBFNAQPKKDR-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@H](CO)Nc1ncnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | OCC[CH](CO)Nc1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N[C@H](CCO)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC(CCO)CO |
