1-(4-Oxo-3-methylpentyl)-3-ethyl-7-(2-methoxyethyl)-xanthine

HCID 53643145
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Basic information

Standard SMILES
CCn1c(=O)n(CCC(C)C(C)=O)c(=O)c2c1ncn2CCOC
InChIKey
AHLKSATYSUPWDB-UHFFFAOYSA-N
Molecular formula
C16H24N4O4
Average molar mass
336.39 g/mol

Names & identifiers

Preferred name
1-(4-Oxo-3-methylpentyl)-3-ethyl-7-(2-methoxyethyl)-xanthine
IUPAC
3-ethyl-7-(2-methoxyethyl)-1-(3-methyl-4-oxopentyl)purine-2,6-dione

Names & synonyms

SCHEMBL8357922AHLKSATYSUPWDB-UHFFFAOYSA-N1-(4-Oxo-3-methylpentyl)-3-ethyl-7-(2-methoxyethyl)-xanthine

Database identifiers

PubChem CID
53643145

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
84.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
24

Related reactions

2 records
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Compound notes

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