Basic information
- CAS
136160-35-5- Standard SMILES
CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=S)[nH]c1=O- InChIKey
KSOIFKYBUIPLKI-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2S2
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.1122703
Names & identifiers
- Preferred name
- 5-Isopropyl-1-benzyloxymethyl-6-(phenylthio)-2-thiouracil
- IUPAC
- 1-(phenylmethoxymethyl)-6-phenylsulfanyl-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
136160-35-5I-BPU-S5-Isopropyl-1-benzyloxymethyl-6-(phenylthio)-2-thiouracil1-BzOMe-6PhS-5-i-Pr2thio UCHEMBL1330351-((Benzyloxy)methyl)-5-isopropyl-6-(phenylthio)-2-thioxo-2,3-dihydropyrimidin-4(1H)-oneDTXSID50159714BDBM500041391-(benzyloxymethyl)-5-isopropyl-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one1-Benzyloxymethyl-5-isopropyl-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one1-[(Benzyloxy)methyl]-6-(phenylsulfanyl)-5-(propan-2-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
136160-35-5- PubChem CID
- 3000401
- DTXSID
DTXSID50159714- ChEMBL
CHEMBL133035- Nikkaji
- J522.703H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…