UGX
Summary
| Name: | N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide |
| Formula: | C18 H23 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 345.459 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,2-dimethylpropyl)-2-[(4S)-1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide |
| OpenEye OEToolkits | 1.9.2 | N-(2,2-dimethylpropyl)-2-[(4S)-1-oxidanylidene-7-thiophen-3-yl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3c2n(cc(c1ccsc1)c2)C(CC(=O)NCC(C)(C)C)CN3 |
| InChI | InChI | 1.03 | InChI=1S/C18H23N3O2S/c1-18(2,3)11-20-16(22)7-14-8-19-17(23)15-6-13(9-21(14)15)12-4-5-24-10-12/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | PNMQDIXULZYDDT-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2cc(cn12)c3cscc3 |
| SMILES | CACTVS | 3.385 | CC(C)(C)CNC(=O)C[CH]1CNC(=O)c2cc(cn12)c3cscc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)CNC(=O)CC1CNC(=O)c2n1cc(c2)c3ccsc3 |
