93T
Summary
| Name: | 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid |
| Formula: | C17 H16 Br N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 374.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16BrN3O2/c1-10-14(7-8-17(22)23)11(2)21-16(19-10)9-15(20-21)12-3-5-13(18)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,22,23) |
| InChIKey | InChI | 1.03 | SJELVUFWTXHLTJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2cc(nn2c(C)c1CCC(O)=O)c3ccc(Br)cc3 |
| SMILES | CACTVS | 3.385 | Cc1nc2cc(nn2c(C)c1CCC(O)=O)c3ccc(Br)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n2c(n1)cc(n2)c3ccc(cc3)Br)C)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n2c(n1)cc(n2)c3ccc(cc3)Br)C)CCC(=O)O |
