1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,3-dimethyl-8-(2-hydroxyethyl)-7-(4-methylphenyl)-
Basic information
- CAS
96902-24-8- Standard SMILES
Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCO)cc1- InChIKey
LJHJNYLZPMBAJJ-UHFFFAOYSA-N- Molecular formula
- C18H19N5O3
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.14878949
Names & identifiers
- Preferred name
- 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,3-dimethyl-8-(2-hydroxyethyl)-7-(4-methylphenyl)-
- IUPAC
- 6-(2-hydroxyethyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
Names & synonyms
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,3-dimethyl-8-(2-hydroxyethyl)-7-(4-methylphenyl)-96902-24-8BRN 56503841,3-Dimethyl-8-(2-hydroxyethyl)-7-(4-methylphenyl)-1H-imidazo(2,1-f)purine-2,4(3H,8H)-dioneDTXSID60242621RefChem:237820DTXCID901651126-(2-hydroxyethyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dioneAKOS0251427998-(2-Hydroxyethyl)-1,3-dimethyl-7-(4-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Database identifiers
- CAS
96902-24-8- PubChem CID
- 4600950
- DTXSID
DTXSID60242621
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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