Acetic acid, ((2-methyl-3-(9,12-octadecadienyloxy)-2H-pyrazolo(4,3-d)pyrimidin-7-yl)thio)-, ethyl ester
Basic information
- CAS
100565-90-0- Standard SMILES
CCCCC/C=C/C/C=C/CCCCCCCCOc1c2ncnc(SCC(=O)OCC)c2nn1C- InChIKey
AQRAFDBBIILVJM-OKLKQMLOSA-N- Molecular formula
- C28H44N4O3S
- Average molar mass
- 516.7 g/mol
- Monoisotopic mass
- 516.31341245
Names & identifiers
- Preferred name
- Acetic acid, ((2-methyl-3-(9,12-octadecadienyloxy)-2H-pyrazolo(4,3-d)pyrimidin-7-yl)thio)-, ethyl ester
- IUPAC
- ethyl 2-[2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate
Names & synonyms
100565-90-0Acetic acid, ((2-methyl-3-(9,12-octadecadienyloxy)-2H-pyrazolo(4,3-d)pyrimidin-7-yl)thio)-, ethyl esterRefChem:10755132-Methyl-3-linoleyloxy-7-(ethoxycarbonylmethylthio)pyrazolo(4,3-d)pyrimidine
Database identifiers
- CAS
100565-90-0- PubChem CID
- 6447792
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 21
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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