A1A98
Summary
| Name: | {1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentyl}methanol |
| Formula: | C12 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 232.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | {1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentyl}methanol |
| OpenEye OEToolkits | 3.1.0.0 | [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopentyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC1(CCCC1)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C12H16N4O/c17-7-12(4-1-2-5-12)16-11-9-3-6-13-10(9)14-8-15-11/h3,6,8,17H,1-2,4-5,7H2,(H2,13,14,15,16) |
| InChIKey | InChI | 1.06 | WBNKWKYRGAWNJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1(CCCC1)Nc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OCC1(CCCC1)Nc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC3(CCCC3)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC3(CCCC3)CO |
