1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-methoxy-1-naphthalenyl)ethenyl)-7-methyl-1,3-dipropyl-, (E)-
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Basic information
- CAS
151539-65-0- Standard SMILES
CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c4ccccc34)n2C)n(CCC)c1=O- InChIKey
VJMCJAORZNGBHE-WYMLVPIESA-N- Molecular formula
- C25H28N4O3
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.21614077
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-methoxy-1-naphthalenyl)ethenyl)-7-methyl-1,3-dipropyl-, (E)-
- IUPAC
- 8-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
- English name
- (E)-8-(2-(4-Methoxynaphthyl)vinyl)-7-methyl-1,3-dipropylxanthine
- Molecular formula
- C25H28N4O3
- Molecular weight
- 432.51
Names & synonyms
151539-65-0DTXSID2011129471H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-methoxy-1-naphthalenyl)ethenyl)-7-methyl-1,3-dipropyl-, (E)-1H-Purine-2,6-dione, 3,7-dihydro-8-[2-(4-methoxy-1-naphthalenyl)ethenyl]-7-methyl-1,3-dipropyl-, (E)-RefChem:1058441DTXCID401544548(E)-8-(2-(4-Methoxynaphthyl)vinyl)-7-methyl-1,3-dipropylxanthine1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxy-1-naphthalenyl)ethenyl)-7-methyl-, (E)-8-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dioneSCHEMBL77300318-[(E)-2-(4-Methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-8-[2-(4-methoxy-1-naphthalenyl)ethenyl]-7-methyl-1,3-dipropyl-, (E)- (9CI)
Database identifiers
- CAS
151539-65-0- PubChem CID
- 6448813
- DTXSID
DTXSID201112947
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 713
Physicochemical properties
- Boiling point
- 668.9 · 668.9±65.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 0.09 · 0.09±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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