1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3-diethyl-7-methyl-, (E)-
Basic information
- CAS
155271-13-9- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3ccc4c(c3)OCO4)n2C)n(CC)c1=O- InChIKey
YTCWZMWASRZDLC-VQHVLOKHSA-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-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3-diethyl-7-methyl-, (E)-
- IUPAC
- 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3-diethyl-7-methyl-, (E)-155271-13-9RefChem:1058383(E)-1,3-Diethyl-7-methyl-8-(3,4-methylenedioxystyryl)xanthineSCHEMBL7305367
Database identifiers
- CAS
155271-13-9- PubChem CID
- 6448864
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 627
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Compound notes
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