N9R
Summary
| Name: | ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide |
| Formula: | C16 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 278.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14N4O/c1-3-16(21)19-15-8-13(17-10-18-15)12-9-20(2)14-7-5-4-6-11(12)14/h3-10H,1H2,2H3,(H,17,18,19,21) |
| InChIKey | InChI | 1.06 | JXDHZXSSDRPBDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cccc2)c3cc(ncn3)NC(=O)C=C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cccc2)c3cc(ncn3)NC(=O)C=C |
