1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl)-, (E)-
Basic information
- CAS
155271-99-1- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cc(OC)c4c(c3)OCO4)nc2n(CC)c1=O- InChIKey
AURWBIGAQFCFKK-VOTSOKGWSA-N- Molecular formula
- C19H20N4O5
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.14336975
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-7H-purine-2,6-dione
Names & synonyms
155271-99-11H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl)-, (E)-RefChem:1058326(E)-1,3-Diethyl-8-(3-methoxy-4,5-methylenedioxystyryl)xanthineSCHEMBL7311929AURWBIGAQFCFKK-VOTSOKGWSA-N
Database identifiers
- CAS
155271-99-1- PubChem CID
- 6448945
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 644
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Related reactions
2 records
Compound notes
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