5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil
Basic information
- CAS
136160-34-4- Standard SMILES
CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O- InChIKey
WGWFCFMAZPEFFJ-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.13511374
Names & identifiers
- Preferred name
- 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil
- IUPAC
- 1-(phenylmethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Names & synonyms
136160-34-4I-BPU1-BzOMe-6PhS-5-i-Pr U5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracilCHEMBL390151-((Benzyloxy)methyl)-5-isopropyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione5-Isopropyl-1-[(benzyloxy)methyl]-6-(phenylthio)uracilDTXSID90159713BDBM500041481-(benzyloxymethyl)-5-isopropyl-6-phenylsulfanyl-pyrimidine-2,4-dione1-Benzyloxymethyl-5-isopropyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione1-[(Benzyloxy)methyl]-6-(phenylsulfanyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136160-34-4- PubChem CID
- 454574
- DTXSID
DTXSID90159713- ChEMBL
CHEMBL39015- Nikkaji
- J522.711I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 564
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