A1DVB
Summary
| Name: | N-[(pyrazin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
| Formula: | C12 H10 N6 O |
| Formal charge: | 0 |
| Formula weight: | 254.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(pyrazin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(pyrazin-2-ylmethyl)-7~{H}-pyrrolo[2,3-d]pyrimidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1cnccn1)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C12H10N6O/c19-12(16-6-8-5-13-3-4-14-8)10-9-1-2-15-11(9)18-7-17-10/h1-5,7H,6H2,(H,16,19)(H,15,17,18) |
| InChIKey | InChI | 1.06 | HBYGMBGSFKYGNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1cnccn1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O=C(NCc1cnccn1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)C(=O)NCc3cnccn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)C(=O)NCc3cnccn3 |
