74V
Summary
| Name: | N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide |
| Formula: | C18 H25 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 343.423 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide |
| OpenEye OEToolkits | 2.0.5 | ~{N}-ethyl-4-(furan-2-ylmethylamino)-2-methyl-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(CC)(C(c1cnc(nc1NCc2ccco2)C)=O)C3CNCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C18H25N5O2/c1-3-23(14-6-4-8-19-10-14)18(24)16-12-20-13(2)22-17(16)21-11-15-7-5-9-25-15/h5,7,9,12,14,19H,3-4,6,8,10-11H2,1-2H3,(H,20,21,22)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | GCBMAJYEAKERQU-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN([C@H]1CCCNC1)C(=O)c2cnc(C)nc2NCc3occc3 |
| SMILES | CACTVS | 3.385 | CCN([CH]1CCCNC1)C(=O)c2cnc(C)nc2NCc3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCN(C1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C |
