QYW
Summary
| Name: | 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Formula: | C13 H10 N6 |
| Formal charge: | 0 |
| Formula weight: | 250.259 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10N6/c1-7-17-12(15)10-9(5-14)11(19-13(10)18-7)8-3-2-4-16-6-8/h2-4,6H,1H3,(H3,15,17,18,19) |
| InChIKey | InChI | 1.03 | AWVFEGNSWDVVKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(N)c2c([nH]c(c3cccnc3)c2C#N)n1 |
| SMILES | CACTVS | 3.385 | Cc1nc(N)c2c([nH]c(c3cccnc3)c2C#N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N |
