A1J95
Summary
| Name: | ~{N}-[4-(furan-2-yl)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula: | C16 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 276.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-(furan-2-yl)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12N4O/c1-2-14(21-9-1)11-3-5-12(6-4-11)20-16-13-7-8-17-15(13)18-10-19-16/h1-10H,(H2,17,18,19,20) |
| InChIKey | InChI | 1.06 | RCCFVSKQNILWPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1ccc2c1ncnc2Nc3ccc(cc3)c4occc4 |
| SMILES | CACTVS | 3.385 | [nH]1ccc2c1ncnc2Nc3ccc(cc3)c4occc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)c2ccc(cc2)Nc3c4cc[nH]c4ncn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)c2ccc(cc2)Nc3c4cc[nH]c4ncn3 |
