1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethyl-4-methoxy)phenyl)ethenyl)-7-methyl-, (E)-
Basic information
- CAS
155271-07-1- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(C)c3C)n2C)n(CC)c1=O- InChIKey
MOKFNCWYQXNBBY-ZRDIBKRKSA-N- Molecular formula
- C21H26N4O3
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.2004907
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethyl-4-methoxy)phenyl)ethenyl)-7-methyl-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-7-methylpurine-2,6-dione
Names & synonyms
155271-07-11H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethyl-4-methoxy)phenyl)ethenyl)-7-methyl-, (E)-RefChem:1058277(E)-1,3-Diethyl-8-(4-methoxy-2,3-dimethylstyryl)-7-methylxanthineCHEMBL77698SCHEMBL7306951BDBM50290167L0105601,3-Diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)-vinyl]-7-methyl-3,7-dihydro-purine-2,6-dione
Database identifiers
- CAS
155271-07-1- PubChem CID
- 6448858
- ChEMBL
CHEMBL77698
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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