A1AWQ
Summary
| Name: | methyl (8S)-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate |
| Formula: | C9 H9 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 207.186 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (8S)-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl 5-methyl-7-oxidanyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)c1cnn2c(O)cc(C)nc12 |
| InChI | InChI | 1.06 | InChI=1S/C9H9N3O3/c1-5-3-7(13)12-8(11-5)6(4-10-12)9(14)15-2/h3-4,13H,1-2H3 |
| InChIKey | InChI | 1.06 | GISGVQCKVJJCFU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cnn2c(O)cc(C)nc12 |
| SMILES | CACTVS | 3.385 | COC(=O)c1cnn2c(O)cc(C)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(n1)c(cn2)C(=O)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(n1)c(cn2)C(=O)OC)O |
