4W6
Summary
| Name: | 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| Formula: | C16 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 313.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| OpenEye OEToolkits | 1.9.2 | 7-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCC3=CC(=O)n2nc(CC(=O)N1CCCC1)c(c2N3)C#N |
| InChI | InChI | 1.03 | InChI=1S/C16H19N5O2/c1-2-5-11-8-15(23)21-16(18-11)12(10-17)13(19-21)9-14(22)20-6-3-4-7-20/h8,18H,2-7,9H2,1H3 |
| InChIKey | InChI | 1.03 | IBJDXQJWRXJZBH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC1=CC(=O)n2nc(CC(=O)N3CCCC3)c(C#N)c2N1 |
| SMILES | CACTVS | 3.385 | CCCC1=CC(=O)n2nc(CC(=O)N3CCCC3)c(C#N)c2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1 |
