HVE
Summary
| Name: | [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium |
| Formula: | C12 H18 N5 |
| Formal charge: | 1 |
| Formula weight: | 232.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H17N5/c13-7-9-2-5-17(6-3-9)12-10-1-4-14-11(10)15-8-16-12/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)/p+1 |
| InChIKey | InChI | 1.03 | QCXQFRHFMCBJBN-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]CC1CCN(CC1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | [NH3+]CC1CCN(CC1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+] |
