Basic information
- CAS
331236-34-1- Standard SMILES
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(SCc1ccccc1)n2Cc1ccccc1- InChIKey
TXSIMDMWVFSBDT-UHFFFAOYSA-N- Molecular formula
- C27H24N4O2S
- Average molar mass
- 468.6 g/mol
Names & identifiers
- Preferred name
- 1,7-Dibenzyl-8-benzylsulfanyl-3-methylpurine-2,6-dione
- IUPAC
- 1,7-dibenzyl-8-benzylsulfanyl-3-methylpurine-2,6-dione
- English name
- 1,7-dibenzyl-8-(benzylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- Molecular formula
- C27H24N4O2S
- Molecular weight
- 468.57006
Names & synonyms
1,7-dibenzyl-8-(benzylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dioneOprea1_421410Oprea1_7468921,7-dibenzyl-8-benzylsulfanyl-3-methylpurine-2,6-dioneAKOS000718114AG-690/36276043
Database identifiers
- CAS
331236-34-1
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 703
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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