1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-

HCID 6448780

Basic information

CAS
151539-22-9
Standard SMILES
CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)cc3OC)nc2n(CCC)c1=O
InChIKey
VJKLRAFMIQGORB-CSKARUKUSA-N
Molecular formula
C21H26N4O4
Average molar mass
398.5 g/mol

Names & identifiers

Preferred name
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-
IUPAC
8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione

Names & synonyms

1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-151539-22-9RefChem:1058397(E)-8-(2,4-Dimethoxystyryl)-1,3-dipropylxanthine(E)-8-(2-(2,4-Dimethoxyphenyl)ethenyl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7732472VJKLRAFMIQGORB-CSKARUKUSA-N

Database identifiers

CAS
151539-22-9
PubChem CID
6448780

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
87.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
29

Related reactions

3 records

Compound notes

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