1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl)-,(E)-

HCID 6448975

Completing data — usually done within a minute

Basic information

CAS
155814-31-6
Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3ccc4c(c3)OCCO4)nc2n(CC)c1=O
InChIKey
JVLUIKOGPDMCBU-SOFGYWHQSA-N
Molecular formula
C19H20N4O4
Average molar mass
368.4 g/mol
Monoisotopic mass
368.14845513

Names & identifiers

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

Names & synonyms

155814-31-61H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl)-,(E)-RefChem:1058271(E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-1,3-diethylxanthine(E)-8-[2-(1,4-Benzodioxan-6-yl)vinyl]-1,3-diethylxanthineSCHEMBL7306398JVLUIKOGPDMCBU-SOFGYWHQSA-N

Database identifiers

CAS
155814-31-6
PubChem CID
6448975

Properties

Computed structural propertiesFilling in

XLogP
3.3
Topological polar surface area
87.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

Related reactions

3 records

Compound notes

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