Basic information
- Standard SMILES
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(I)n(C)c2n1- InChIKey
PGVXERXALFBABK-UHFFFAOYSA-N- Molecular formula
- C19H20IN7O
- Average molar mass
- 489.3 g/mol
- Monoisotopic mass
- 489.07741
Names & identifiers
- Preferred name
- 2-(2-Ethylbenzoimidazol-1-yl)-8-iodo-9-methyl-6-morpholin-4-yl-9H-purine
- IUPAC
- 4-[2-(2-ethylbenzimidazol-1-yl)-8-iodo-9-methylpurin-6-yl]morpholine
Names & synonyms
SCHEMBL2674473PGVXERXALFBABK-UHFFFAOYSA-N2-(2-Ethylbenzoimidazol-1-yl)-8-iodo-9-methyl-6-morpholin-4-yl-9H-purine
Database identifiers
- PubChem CID
- 59605934
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 550
Related reactions
3 records
Compound notes
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