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

HCID 6448972

Basic information

CAS
155814-27-0
Standard SMILES
C=CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3)nc2n(CC=C)c1=O
InChIKey
CPKFTMZBSCSJGD-CSKARUKUSA-N
Molecular formula
C21H22N4O4
Average molar mass
394.4 g/mol

Names & identifiers

Preferred name
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-, (E)-
IUPAC
8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione
English name
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1, 3-di-2-propenyl-, (E)-
Molecular formula
C21H22N4O4
Molecular weight
394.42

Names & synonyms

155814-27-01H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-, (E)-RefChem:1058412(E)-1,3-Diallyl-8-(3,4-dimethoxystyryl)xanthine(E)-8-(2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-3,7-dihydro-1H-purine-2,6-dioneCPKFTMZBSCSJGD-CSKARUKUSA-N8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-bis(prop-2-enyl)-7H-purine-2,6-dioneSCHEMBL77225321H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1, 3-di-2-propenyl-, (E)-1H-Purine-2,6-dione, 8-[2-(3,4-dimethoxyphenyl)ethenyl]-3,7-dihydro-1,3-di-2-propenyl-, (E)- (9CI)

Database identifiers

CAS
155814-27-0
PubChem CID
6448972

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
87.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
29

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

3 records

Compound notes

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