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

HCID 6448857

Basic information

CAS
155271-06-0
Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(C)c3C)nc2n(CC)c1=O
InChIKey
XAGKAAKDNYPRMI-PKNBQFBNSA-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-(2,3-dimethyl-4-methoxy)phenyl)ethenyl)-, (E)-
IUPAC
1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-7H-purine-2,6-dione

Names & synonyms

155271-06-01H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethyl-4-methoxy)phenyl)ethenyl)-, (E)-RefChem:1058276(E)-1,3-Diethyl-8-(4-methoxy-2,3-dimethylstyryl)xanthineSCHEMBL7307276XAGKAAKDNYPRMI-PKNBQFBNSA-N(E)-1,3-Diethyl-8 -(4-methoxy-2,3-dimethylstyryl)xanthine

Database identifiers

CAS
155271-06-0
PubChem CID
6448857

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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