1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-
Basic information
- CAS
155271-83-3- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3cccc([N+](=O)[O-])c3)n2C)n(CC)c1=O- InChIKey
KSDKGGTYMBXKQX-MDZDMXLPSA-N- Molecular formula
- C18H19N5O4
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.1437041
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-155271-83-3RefChem:1058261(E)-1,3-Diethyl-7-methyl-8-(3-nitrostyryl)xanthine(E)-1,3-Diethyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7312150
Database identifiers
- CAS
155271-83-3- PubChem CID
- 6448929
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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