A1A95
Summary
| Name: | {1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopropyl}methanol |
| Formula: | C10 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 204.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | {1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopropyl}methanol |
| OpenEye OEToolkits | 3.1.0.0 | [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclopropyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC1(CC1)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N4O/c15-5-10(2-3-10)14-9-7-1-4-11-8(7)12-6-13-9/h1,4,6,15H,2-3,5H2,(H2,11,12,13,14) |
| InChIKey | InChI | 1.06 | BEINQKYPBJXBBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1(CC1)Nc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OCC1(CC1)Nc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC3(CC3)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC3(CC3)CO |
