Basic information
- CAS
155814-27-0- Standard SMILES
C=CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3)nc2n(CC=C)c1=O- InChIKey
CPKFTMZBSCSJGD-CSKARUKUSA-N- Molecular formula
- C21H22N4O4
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-, (E)-
- IUPAC
- 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione
- English name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1, 3-di-2-propenyl-, (E)-
- Molecular formula
- C21H22N4O4
- Molecular weight
- 394.42
Names & synonyms
155814-27-01H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-, (E)-RefChem:1058412(E)-1,3-Diallyl-8-(3,4-dimethoxystyryl)xanthine(E)-8-(2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-3,7-dihydro-1H-purine-2,6-dioneCPKFTMZBSCSJGD-CSKARUKUSA-N8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-bis(prop-2-enyl)-7H-purine-2,6-dioneSCHEMBL77225321H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1, 3-di-2-propenyl-, (E)-1H-Purine-2,6-dione, 8-[2-(3,4-dimethoxyphenyl)ethenyl]-3,7-dihydro-1,3-di-2-propenyl-, (E)- (9CI)
Database identifiers
- CAS
155814-27-0- PubChem CID
- 6448972
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 667
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
3 records
Compound notes
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