9IK
Summary
| Name: | ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula: | C18 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 302.33 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H14N4O/c1-2-4-14(5-3-1)23-15-8-6-13(7-9-15)22-18-16-10-11-19-17(16)20-12-21-18/h1-12H,(H2,19,20,21,22) |
| InChIKey | InChI | 1.06 | QZBWRRCYSQGONG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1ccc2c1ncnc2Nc3ccc(Oc4ccccc4)cc3 |
| SMILES | CACTVS | 3.385 | [nH]1ccc2c1ncnc2Nc3ccc(Oc4ccccc4)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3 |
