1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-, (E)-

HCID 6448859

Basic information

CAS
155271-08-2
Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cc(C)c(OC)cc3C)nc2n(CC)c1=O
InChIKey
WUCSCFFXSLSBFH-CMDGGOBGSA-N
Molecular formula
C20H24N4O3
Average molar mass
368.4 g/mol
Monoisotopic mass
368.18484064

Names & identifiers

Preferred name
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-, (E)-
IUPAC
1,3-diethyl-8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-7H-purine-2,6-dione

Names & synonyms

155271-08-21H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-, (E)-RefChem:1058282(E)-1,3-Diethyl-8-(4-methoxy-2,5-dimethylstyryl)xanthineSCHEMBL7308317WUCSCFFXSLSBFH-CMDGGOBGSA-N

Database identifiers

CAS
155271-08-2
PubChem CID
6448859

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
78.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

Related reactions

3 records

Compound notes

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