1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxy-3-methylphenyl)ethenyl)-1,3-dimethyl-, (E)-

HCID 6448870

Basic information

CAS
155271-24-2
Standard SMILES
COc1ccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c(OC)c1C
InChIKey
KPQRKNLALMDFBS-VQHVLOKHSA-N
Molecular formula
C18H20N4O4
Average molar mass
356.4 g/mol

Names & identifiers

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

Names & synonyms

155271-24-21H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxy-3-methylphenyl)ethenyl)-1,3-dimethyl-, (E)-RefChem:1058392(E)-8-(2,4-Dimethoxy-3-methylstyryl)theophyllineSCHEMBL7315091KPQRKNLALMDFBS-VQHVLOKHSA-N

Database identifiers

CAS
155271-24-2
PubChem CID
6448870

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
87.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

Related reactions

3 records

Compound notes

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