IUX
Summary
| Name: | ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide |
| Formula: | C14 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 243.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17N3O/c1-13(2)8-14(13,3)16-12(18)11-7-10-5-4-6-17(10)9-15-11/h4-7,9H,8H2,1-3H3,(H,16,18)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | AMNHFJHFCQKFMV-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C[C@]1(C)NC(=O)c2cc3cccn3cn2 |
| SMILES | CACTVS | 3.385 | CC1(C)C[C]1(C)NC(=O)c2cc3cccn3cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1(CC1(C)C)NC(=O)c2cc3cccn3cn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC1(C)NC(=O)c2cc3cccn3cn2)C |
