A1A9L
Summary
| Name: | (2S)-3-[(3S)-oxolan-3-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol |
| Formula: | C13 H18 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 262.308 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-3-[(3S)-oxolan-3-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-3-[(3~{S})-oxolan-3-yl]-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC(Nc1ncnc2[NH]ccc12)CC1CCOC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H18N4O2/c18-6-10(5-9-2-4-19-7-9)17-13-11-1-3-14-12(11)15-8-16-13/h1,3,8-10,18H,2,4-7H2,(H2,14,15,16,17)/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.06 | IQSKJCULNBRZEE-ZJUUUORDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H](C[C@H]1CCOC1)Nc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OC[CH](C[CH]1CCOC1)Nc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N[C@@H](C[C@H]3CCOC3)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NC(CC3CCOC3)CO |
