KX1
Summary
| Name: | 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile |
| Formula: | C20 H30 N4 |
| Formal charge: | 0 |
| Formula weight: | 326.479 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | N#Cc1nc(CCCN2CCCCC2)cc(n1)C3CCCCCC3 |
| SMILES | CACTVS | 3.352 | N#Cc1nc(CCCN2CCCCC2)cc(n1)C3CCCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C20H30N4/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17/h15,17H,1-14H2 |
| InChIKey | InChI | 1.03 | UTNIKRVBYGTXDR-UHFFFAOYSA-N |
