V8B
Summary
| Name: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one |
| Formula: | C17 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 282.337 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O2/c1-11-4-9-15-16(20)18-14(10-19(11)15)12-5-7-13(8-6-12)17(2,3)21/h4-9,21H,10H2,1-3H3 |
| InChIKey | InChI | 1.03 | SVPWRHUBABXQJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O |
| SMILES | CACTVS | 3.385 | Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O |
