1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-, (E)-, hydrate (2:1)

HCID 6448872

Completing data — usually done within a minute

Basic information

CAS
155271-26-4
Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cc(C)ccc3C)nc2n(CC)c1=O
InChIKey
YSMHNOXOHFXVFM-MDZDMXLPSA-N
Molecular formula
C19H22N4O2
Average molar mass
338.4 g/mol

Names & identifiers

Preferred name
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-, (E)-, hydrate (2:1)
IUPAC
8-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione

Names & synonyms

1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-, (E)-, hydrate (2:1)155271-26-4RefChem:1058284(E)-8-(2,5-Dimethylstyryl)-1,3-diethylxanthine hemihydrateSCHEMBL7306167YSMHNOXOHFXVFM-MDZDMXLPSA-N(E)-8-(2,5-Dimethylstyryl)-1,3-diethylxanthine

Database identifiers

CAS
155271-26-4
PubChem CID
6448872

Properties

Computed structural propertiesFilling in

XLogP
4.3
Topological polar surface area
69.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
25

Related reactions

3 records

Compound notes

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