1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,5-dimethoxyphenyl)ethenyl)-7-methyl, (E)-

HCID 6448907

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Basic information

CAS: 155271-61-7
Standard SMILES: CCn1c(=O)c2c(nc(/C=C/c3cc(OC)cc(OC)c3)n2C)n(CC)c1=O
InChIKey: MOUNFHMSTJIZDK-CMDGGOBGSA-N
Molecular formula: C20H24N4O4
Average molar mass: 384.4 g/mol
Monoisotopic mass: 384.17975526

Names & identifiers

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

Names & synonyms

155271-61-71H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,5-dimethoxyphenyl)ethenyl)-7-methyl, (E)-RefChem:1058295(E)-8-(3,5-Dimethoxystyryl)-1,3-diethyl-7-methylxanthineSCHEMBL7307851

Database identifiers

CAS: 155271-61-7
PubChem CID: 6448907

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 76.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 601

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