A1CUL
Summary
| Name: | (7S)-6-(5-chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one |
| Formula: | C11 H7 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 262.652 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (7S)-6-(5-chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one |
| OpenEye OEToolkits | 3.1.0.0 | (7~{S})-6-(5-chloranylpyridin-2-yl)-7-oxidanyl-7~{H}-pyrrolo[3,4-b]pyrazin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(nc1)N1C(=O)c2nccnc2C1O |
| InChI | InChI | 1.06 | InChI=1S/C11H7ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | FUUXOEKDNNWZTR-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1N(c2ccc(Cl)cn2)C(=O)c3nccnc13 |
| SMILES | CACTVS | 3.385 | O[CH]1N(c2ccc(Cl)cn2)C(=O)c3nccnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1Cl)N2[C@H](c3c(nccn3)C2=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1Cl)N2C(c3c(nccn3)C2=O)O |
