X1Y
Summary
Name: | (2R,4R)-1-cyclohexylhexahydropyrimidine-2,4-diol |
Formula: | C10 H20 N2 O2 |
Formal charge: | 0 |
Formula weight: | 200.278 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R,4R)-1-cyclohexylhexahydropyrimidine-2,4-diol |
OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R})-1-cyclohexyl-1,3-diazinane-2,4-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1(C(O)NC(O)CC1)C2CCCCC2 |
InChI | InChI | 1.03 | InChI=1S/C10H20N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h8-11,13-14H,1-7H2/t9-,10-/m1/s1 |
InChIKey | InChI | 1.03 | QJXOGSBPPLHAFK-NXEZZACHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCN(C2CCCCC2)[C@H](O)N1 |
SMILES | CACTVS | 3.385 | O[CH]1CCN(C2CCCCC2)[CH](O)N1 |
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 |