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Basic information
- Standard SMILES
Cn1c(=O)[nH]c(=O)c2c1nc(Cl)n2Cc1ccccc1- InChIKey
LCOWIMHMOWUCCU-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4O2
- Average molar mass
- 290.7 g/mol
- Monoisotopic mass
- 290.0570533
Names & identifiers
- Preferred name
- 7-benzyl-8-chloro-3-methyl-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 7-benzyl-8-chloro-3-methylpurine-2,6-dione
Names & synonyms
93703-28-77-benzyl-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione7-benzyl-8-chloro-3-methylpurine-2,6-dione7-benzyl-8-chloro-3-methyl-1H-purine-2,6(3H,7H)-dione7-benzyl-8-chloro-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dionestarbld0022506Oprea1_190834SCHEMBL555082LCOWIMHMOWUCCU-UHFFFAOYSA-N7-benzyl-8-chloro-3-methylxanthineMFCD00428275STK526221
Show more names
STK578542AKOS005459944AKOS005502383NCGC00286349-01VS-08826CS-03610887-benzyl-8-chloro-3-methyl-purine-2,6-dioneAB01286535-01
Database identifiers
- PubChem CID
- 911583
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Related reactions
4 records
Compound notes
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