MIL
Summary
| Name: | MILRINONE |
| Formula: | C12 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 211.219 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile |
| OpenEye OEToolkits | 1.5.0 | 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#CC1=CC(=C(NC1=O)C)c2ccncc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(C=C(C#N)C(=O)N1)c2ccncc2 |
| SMILES | CACTVS | 3.341 | CC1=C(C=C(C#N)C(=O)N1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C=C(C(=O)N1)C#N)c2ccncc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C=C(C(=O)N1)C#N)c2ccncc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | PZRHRDRVRGEVNW-UHFFFAOYSA-N |
