(R)-1-(5-acetoxyhexyl)-7-benzyl-3-methylxanthine

HCID 53701360
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)O[C@H](C)CCCCn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O
InChIKey
BUCWRUDZXPWBKZ-OAHLLOKOSA-N
Molecular formula
C21H26N4O4
Average molar mass
398.5 g/mol

Names & identifiers

Preferred name
(R)-1-(5-acetoxyhexyl)-7-benzyl-3-methylxanthine
IUPAC
[(2R)-6-(7-benzyl-3-methyl-2,6-dioxopurin-1-yl)hexan-2-yl] acetate

Names & synonyms

SCHEMBL4708433BUCWRUDZXPWBKZ-OAHLLOKOSA-N(R)-1-(5-acetoxyhexyl)-7-benzyl-3-methylxanthine

Database identifiers

PubChem CID
53701360

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
84.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
29

Related reactions

6 records
New reaction record

Compound notes

Loading…