E47
Summary
| Name: | 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde |
| Formula: | C17 H16 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 324.334 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16N4O3/c22-9-12-7-11(1-2-14(12)23)13-8-18-16-15(13)17(20-10-19-16)21-3-5-24-6-4-21/h1-2,7-10,23H,3-6H2,(H,18,19,20) |
| InChIKey | InChI | 1.06 | OPQSSAIBYNXUAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1C=O)c2c[nH]c3ncnc(N4CCOCC4)c23 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1C=O)c2c[nH]c3ncnc(N4CCOCC4)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2c[nH]c3c2c(ncn3)N4CCOCC4)C=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2c[nH]c3c2c(ncn3)N4CCOCC4)C=O)O |
