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Basic information
- CAS
155271-44-6- Standard SMILES
COc1ccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c(Cl)c1OC- InChIKey
NRTDUBYEUVUYIX-SOFGYWHQSA-N- Molecular formula
- C17H17ClN4O4
- Average molar mass
- 376.8 g/mol
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-
- IUPAC
- 8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione
- English name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)et henyl)-1,3-dimethyl-, (E)-
- Molecular formula
- C17H17ClN4O4
- Molecular weight
- 376.79
Names & synonyms
155271-44-61H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-RefChem:1058406(E)-8-(2-Chloro-3,4-dimethoxystyryl)theophyllineNRTDUBYEUVUYIX-SOFGYWHQSA-N8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dioneSCHEMBL73025841H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)et henyl)-1,3-dimethyl-, (E)-1H-Purine-2,6-dione, 8-[2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-3,7-dihydro-1,3-dimethyl-, (E)- (9CI)
Database identifiers
- CAS
155271-44-6- PubChem CID
- 6448890
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 589
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
2 records
Compound notes
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