A1D09
Summary
| Name: | 2-(1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclopentyl)ethan-1-ol |
| Formula: | C14 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 260.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclopentyl)ethan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | 2-[1-[(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]cyclopentyl]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCCC1(CCCC1)CNc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C14H20N4O/c19-8-6-14(4-1-2-5-14)9-16-13-11-3-7-15-12(11)17-10-18-13/h3,7,10,19H,1-2,4-6,8-9H2,(H2,15,16,17,18) |
| InChIKey | InChI | 1.06 | MKVKACSILWJEHB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCC1(CCCC1)CNc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OCCC1(CCCC1)CNc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NCC3(CCCC3)CCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NCC3(CCCC3)CCO |
