1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxyphenyl)ethenyl)-, (E)-

HCID 6448878

Completing data — usually done within a minute

Basic information

CAS
155271-32-2
Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cccc(OC)c3)nc2n(CC)c1=O
InChIKey
HRMJJJDGACABJM-MDZDMXLPSA-N
Molecular formula
C18H20N4O3
Average molar mass
340.4 g/mol

Names & identifiers

Preferred name
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxyphenyl)ethenyl)-, (E)-
IUPAC
1,3-diethyl-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7H-purine-2,6-dione

Names & synonyms

1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxyphenyl)ethenyl)-, (E)-155271-32-2RefChem:1058306(E)-1,3-Diethyl-8-(3-methoxystyryl)xanthine(E)-1,3-Diethyl-8-(2-(3-methoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7283640HRMJJJDGACABJM-MDZDMXLPSA-N

Database identifiers

CAS
155271-32-2
PubChem CID
6448878

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
78.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

Related reactions

5 records

Compound notes

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