IDH
Summary
| Name: | (5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMIDINEDIONE |
| Formula: | C4 H5 I N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 239.999 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5S)-5-iododihydropyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | (5S)-5-iodo-1,3-diazinane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)NCC1I |
| SMILES_CANONICAL | CACTVS | 3.341 | I[C@H]1CNC(=O)NC1=O |
| SMILES | CACTVS | 3.341 | I[CH]1CNC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](C(=O)NC(=O)N1)I |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(=O)NC(=O)N1)I |
| InChI | InChI | 1.03 | InChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | YGKCTZPSAOUUMT-REOHCLBHSA-N |
