6X9
Summary
| Name: | 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| Formula: | C11 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 216.239 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12N4O/c1-4-8-6(2)13-10-9(5-12)7(3)14-15(10)11(8)16/h13H,4H2,1-3H3 |
| InChIKey | InChI | 1.03 | ZCAHZFVKTFERAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C(C)Nc2n(nc(C)c2C#N)C1=O |
| SMILES | CACTVS | 3.385 | CCC1=C(C)Nc2n(nc(C)c2C#N)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C |
