A1DHL
Summary
| Name: | N-ethyl[1]benzofuro[3,2-d]pyrimidin-4-amine |
| Formula: | C12 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 213.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-ethyl[1]benzofuro[3,2-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCNc1ncnc2c3ccccc3oc21 |
| InChI | InChI | 1.06 | InChI=1S/C12H11N3O/c1-2-13-12-11-10(14-7-15-12)8-5-3-4-6-9(8)16-11/h3-7H,2H2,1H3,(H,13,14,15) |
| InChIKey | InChI | 1.06 | QVSDVCJMRMYMQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNc1ncnc2c1oc3ccccc23 |
| SMILES | CACTVS | 3.385 | CCNc1ncnc2c1oc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCNc1c2c(c3ccccc3o2)ncn1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCNc1c2c(c3ccccc3o2)ncn1 |
