A1A9T
Summary
| Name: | {1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}methanol |
| Formula: | C11 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 218.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | {1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}methanol |
| OpenEye OEToolkits | 3.1.0.0 | [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC1(CCC1)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C11H14N4O/c16-6-11(3-1-4-11)15-10-8-2-5-12-9(8)13-7-14-10/h2,5,7,16H,1,3-4,6H2,(H2,12,13,14,15) |
| InChIKey | InChI | 1.06 | VIJTZDMICNLQTB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1(CCC1)Nc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OCC1(CCC1)Nc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC3(CCC3)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC3(CCC3)CO |
