XWS
Summary
| Name: | (2R,4R)-1-phenylhexahydropyrimidine-2,4-diol |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,4R)-1-phenylhexahydropyrimidine-2,4-diol |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R})-1-phenyl-1,3-diazinane-2,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCC(NC1O)O)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2/t9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | OYDNXLZZNODBTK-NXEZZACHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCN([C@H](O)N1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O[CH]1CCN([CH](O)N1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CC[C@H](N[C@H]2O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCC(NC2O)O |
