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Basic information
- CAS
22917-75-5- Standard SMILES
Cc1cn(CCCn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O- InChIKey
BMRBWWWZFYXCDX-UHFFFAOYSA-N- Molecular formula
- C13H16N4O4
- Average molar mass
- 292.295 g/mol
- Monoisotopic mass
- 292.11715499
Names & identifiers
- Preferred name
- 1,1'-(Propane-1,3-diyl)bis(4-hydroxy-5-methylpyrimidin-2(1H)-one)
- IUPAC
- 1,1'-(Propane-1,3-diyl)bis(4-hydroxy-5-methylpyrimidin-2(1H)-one)
- English name
- 1,1'-(1,3-Propanediyl)dithymine
- Molecular formula
- C13H16N4O4
- Molecular weight
- 292.29
Names & synonyms
1,1'-Trimethylenebis1,1'-Trimethylenedithymine1,1'-(1,3-Propanediyl)dithymineTrimethylenebis(N(3)-methylthymine)2,4(1H,3H)-Pyrimidinedione, 1,1'-(1,3-propanediyl)bis[5-methyl-
Database identifiers
- CAS
22917-75-5- PubChem CID
- 89902
- DTXSID
DTXSID20945601- ChEMBL
CHEMBL2337545- Nikkaji
- J108.238H
Properties
Physicochemical properties
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 9.57 · 9.57±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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