A1PR0
Summary
| Name: | N-[2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
| Formula: | C10 H10 N8 O |
| Formal charge: | 0 |
| Formula weight: | 258.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethyl]-7~{H}-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCCc1nnn[NH]1)c1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C10H10N8O/c19-10(12-4-2-7-15-17-18-16-7)8-6-1-3-11-9(6)14-5-13-8/h1,3,5H,2,4H2,(H,12,19)(H,11,13,14)(H,15,16,17,18) |
| InChIKey | InChI | 1.06 | WJDBQRJGXDUERC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCc1[nH]nnn1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O=C(NCCc1[nH]nnn1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)C(=O)NCCc3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)C(=O)NCCc3[nH]nnn3 |
