J36
Summary
| Name: | Parvine |
| Formula: | C18 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 287.315 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H13N3O/c22-18-14-10-19-7-5-11(14)9-16-17-13(6-8-21(16)18)12-3-1-2-4-15(12)20-17/h1-5,7,9-10,20H,6,8H2 |
| InChIKey | InChI | 1.03 | BGFQUYBVDVRJSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N2CCc3c([nH]c4ccccc34)C2=Cc5ccncc15 |
| SMILES | CACTVS | 3.385 | O=C1N2CCc3c([nH]c4ccccc34)C2=Cc5ccncc15 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3 |
