Basic information
- CAS
172256-10-9- Standard SMILES
CC(C)c1c([Se]c2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O- InChIKey
DPPMRNBYZHWVQO-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3Se
- Average molar mass
- 429.4 g/mol
- Monoisotopic mass
- 430.07956386
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5-(1-methylethyl)-1-((phenylmethoxy)methyl)-6-(phenylseleno)-
- IUPAC
- 1-(phenylmethoxymethyl)-6-phenylselanyl-5-propan-2-ylpyrimidine-2,4-dione
Names & synonyms
172256-10-92,4(1H,3H)-Pyrimidinedione, 5-(1-methylethyl)-1-((phenylmethoxy)methyl)-6-(phenylseleno)-1-((Phenylmethoxy)methyl)-6-phenylselenenyl-2-thioxo-5-methylethyluracil1-((Benzyloxy)methyl)-5-isopropyl-6-(phenylselanyl)pyrimidine-2,4(1H,3H)-dione1-[(Phenylmethoxy)methyl]-6-phenylselenenyl-2-thioxo-5-methylethyluracil2,4(1H,3H)-Pyrimidinedione, 5-(1-methylethyl)-1-[(phenylmethoxy)methyl]-6-(phenylseleno)-SCHEMBL8429092DTXSID60169243DPPMRNBYZHWVQO-UHFFFAOYSA-N1-[(benzyloxy)methyl]-5-isopropyl-6-(phenylselenenyl)uracil1-(benzyloxymethyl)-5-isopropyl-6-phenylselanyl-pyrimidine-2,4-dione1-[(Benzyloxy)methyl]-6-(phenylselanyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
172256-10-9- PubChem CID
- 463039
- DTXSID
DTXSID60169243
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 564
Related reactions
2 records
Compound notes
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