A1DXM
Summary
| Name: | (8R)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[3.4]octan-8-amine |
| Formula: | C13 H17 N5 |
| Formal charge: | 0 |
| Formula weight: | 243.308 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (8R)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[3.4]octan-8-amine |
| OpenEye OEToolkits | 3.1.0.0 | (8~{R})-5-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[3.4]octan-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC1CCN(c2ncnc3[NH]ccc23)C21CCC2 |
| InChI | InChI | 1.06 | InChI=1S/C13H17N5/c14-10-3-7-18(13(10)4-1-5-13)12-9-2-6-15-11(9)16-8-17-12/h2,6,8,10H,1,3-5,7,14H2,(H,15,16,17)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | HQSLQZGXBRMSRD-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CCN(c2ncnc3[nH]ccc23)C14CCC4 |
| SMILES | CACTVS | 3.385 | N[CH]1CCN(c2ncnc3[nH]ccc23)C14CCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CC[C@H](C34CCC4)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CCC(C34CCC4)N |
