Basic information
- Standard SMILES
CCOC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCCCO3)c2n1- InChIKey
AODWSEYYZUUUOC-UHFFFAOYSA-N- Molecular formula
- C27H29N5O3
- Average molar mass
- 471.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-[(2,2-diphenylethyl)amino]-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-2-carboxylate
- IUPAC
- ethyl 6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purine-2-carboxylate
Names & synonyms
SCHEMBL4379661AODWSEYYZUUUOC-UHFFFAOYSA-NEthyl 6-[(2,2-diphenylethyl)amino]-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-2-carboxylate
Database identifiers
- PubChem CID
- 21978293
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 651
Related reactions
5 records
Compound notes
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