Basic information
- CAS
155814-26-9- Standard SMILES
CCCn1c(=O)c2c(nc(/C=C/c3ccc(OCOC)c(OCOC)c3)n2C)n(CCC)c1=O- InChIKey
DXBWGAGBXVYUFM-PKNBQFBNSA-N- Molecular formula
- C24H32N4O6
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.23218475
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-bis(methoxymethoxy)phenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
- IUPAC
- 8-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
- English name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-bis(methoxymethoxy)phenyl)e thenyl)-1,3-dipropyl-7-methyl-, (E)-
- Molecular formula
- C24H32N4O6
- Molecular weight
- 472.53
Names & synonyms
155814-26-91H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-bis(methoxymethoxy)phenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-RefChem:1058409(E)-8-(3,4-Bis(methoxymethoxy)styryl)-7-methyl-1,3-dipropylxanthine(E)-8-[3,4-Bis(methoxymethoxy)styryl]-7-methyl-1,3-dipropylxanthineDXBWGAGBXVYUFM-PKNBQFBNSA-N8-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dioneSCHEMBL77309221H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-bis(methoxymethoxy)phenyl)e thenyl)-1,3-dipropyl-7-methyl1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-bis(methoxymethoxy)phenyl)e thenyl)-1,3-dipropyl-7-methyl-, (E)-1H-Purine-2,6-dione, 8-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)- (9CI)
Database identifiers
- CAS
155814-26-9- PubChem CID
- 6448971
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 707
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
3 records
Compound notes
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