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
- Formal charge
- 0
- Complexity
- 613
Related reactions
3 records
Compound notes
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