GUW
Summary
| Name: | ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide |
| Formula: | C16 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 294.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N4O2/c1-3-13(21)20-11-6-4-5-10(7-11)12-8-17-15-14(12)16(22-2)19-9-18-15/h3-9H,1H2,2H3,(H,20,21)(H,17,18,19) |
| InChIKey | InChI | 1.03 | ZUUXJSSZHCHQQR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncnc2[nH]cc(c3cccc(NC(=O)C=C)c3)c12 |
| SMILES | CACTVS | 3.385 | COc1ncnc2[nH]cc(c3cccc(NC(=O)C=C)c3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C |
