QYK
Summary
| Name: | 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Formula: | C8 H6 Br N5 |
| Formal charge: | 0 |
| Formula weight: | 252.071 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H6BrN5/c1-14-6(9)4(2-10)5-7(11)12-3-13-8(5)14/h3H,1H3,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | IUMDMPJAQOGMFA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(Br)c(C#N)c2c(N)ncnc12 |
| SMILES | CACTVS | 3.385 | Cn1c(Br)c(C#N)c2c(N)ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2c(c(c1Br)C#N)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2c(c(c1Br)C#N)c(ncn2)N |
