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Basic information
- Standard SMILES
Nc1cnn(-c2nc(NCC(c3ccccc3)c3ccccc3)c3ncn(C4CC(NC(=O)CO)C(O)C4O)c3n2)c1- InChIKey
BNERZDCAWSIDJI-UHFFFAOYSA-N- Molecular formula
- C29H31N9O4
- Average molar mass
- 569.6 g/mol
- Monoisotopic mass
- 569.2499005
Names & identifiers
- Preferred name
- N-[4-[2-(4-aminopyrazol-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]-2-hydroxyacetamide
- IUPAC
- N-[4-[2-(4-aminopyrazol-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]-2-hydroxyacetamide
Names & synonyms
SCHEMBL293561
Database identifiers
- PubChem CID
- 66645877
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 873
Related reactions
1 records
Compound notes
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