7UO
Summary
| Name: | ~{N}-[(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide |
| Formula: | C21 H25 N6 O3 |
| Formal charge: | 1 |
| Formula weight: | 409.462 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H24N6O3/c1-3-26-12-15-8-14(4-5-17(15)22-7-6-20(26)29)10-24-21(30)16-11-23-18-9-19(28)25-27(18)13(16)2/h4-5,8,11,22H,3,6-7,9-10,12H2,1-2H3,(H-,24,25,28,30)/p+1 |
| InChIKey | InChI | 1.03 | LHEOUBYGNUOQPC-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1Cc2cc(CNC(=O)c3cnc4CC(=O)N[n+]4c3C)ccc2NCCC1=O |
| SMILES | CACTVS | 3.385 | CCN1Cc2cc(CNC(=O)c3cnc4CC(=O)N[n+]4c3C)ccc2NCCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1Cc2cc(ccc2NCCC1=O)CNC(=O)c3cnc4[n+](c3C)NC(=O)C4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1Cc2cc(ccc2NCCC1=O)CNC(=O)c3cnc4[n+](c3C)NC(=O)C4 |
