3-butyl-1-ethyl-7-(phenylmethyl)-3,7-dihydro-1H-purine-2,6-dione

HCID 59299554
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Basic information

Standard SMILES
CCCCn1c(=O)n(CC)c(=O)c2c1ncn2Cc1ccccc1
InChIKey
FKYWXMWGXQCPIL-UHFFFAOYSA-N
Molecular formula
C18H22N4O2
Average molar mass
326.4 g/mol

Names & identifiers

Preferred name
3-butyl-1-ethyl-7-(phenylmethyl)-3,7-dihydro-1H-purine-2,6-dione
IUPAC
7-benzyl-3-butyl-1-ethylpurine-2,6-dione

Names & synonyms

SCHEMBL3186736FKYWXMWGXQCPIL-UHFFFAOYSA-N3-butyl-1-ethyl-7-(phenylmethyl)-3,7-dihydro-1H-purine-2,6-dione

Database identifiers

PubChem CID
59299554

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
58.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
24

Related reactions

8 records
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Compound notes

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