1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-
Basic information
- CAS
101071-99-2- Standard SMILES
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCc1ccccc1- InChIKey
LPIKUTPXASWEHJ-UHFFFAOYSA-N- Molecular formula
- C14H13BrN4O2
- Average molar mass
- 349.18 g/mol
- Monoisotopic mass
- 348.02219
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-
- IUPAC
- 8-bromo-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Names & synonyms
101071-99-21H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-phenylethyl)-8-bromo-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione8-bromo-3-methyl-7-(2-phenylethyl)purine-2,6-dione8-bromo-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dioneOprea1_291470Oprea1_584579DTXSID40350379SBB084951AKOS0052175907-benzylmethyl-8-bromo-3-methylxanthineAG-690/09707012
Show more names
SR-01000506603SR-01000506603-1F0381-37338-bromo-3-methyl-7-(2-phenylethyl)-1,3,7-trihydropurine-2,6-dione
Database identifiers
- CAS
101071-99-2- PubChem CID
- 677587
- DTXSID
DTXSID40350379
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…