OF5
Summary
| Name: | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone |
| Formula: | C17 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 296.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2O3/c1-11(20)15-10-14(17-18-7-4-8-19(15)17)13-9-12(21-2)5-6-16(13)22-3/h4-10H,1-3H3 |
| InChIKey | InChI | 1.03 | VNCOLZXZXMUDIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC |
