1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxy-2-nitrophenyl)ethenyl)-7-methyl-,(E)-
Basic information
- CAS
155271-57-1- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3[N+](=O)[O-])n2C)n(CC)c1=O- InChIKey
CDNHSPOOIPWFPF-ZHACJKMWSA-N- Molecular formula
- C19H21N5O5
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.15426879
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxy-2-nitrophenyl)ethenyl)-7-methyl-,(E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(3-methoxy-2-nitrophenyl)ethenyl]-7-methylpurine-2,6-dione
Names & synonyms
155271-57-11H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxy-2-nitrophenyl)ethenyl)-7-methyl-,(E)-RefChem:1058305(E)-1,3-Diethyl-8-(3-methoxy-2-nitrostyryl)-7-methylxanthineSCHEMBL7305058
Database identifiers
- CAS
155271-57-1- PubChem CID
- 6448903
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…