Basic information
- CAS
83325-14-8- Standard SMILES
Cc1nc2ncn(-c3ccccc3)c2c(=O)n1Cc1ccccc1- InChIKey
IHUIBZRSQQIDMU-UHFFFAOYSA-N- Molecular formula
- C19H16N4O
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.13241115
Names & identifiers
- Preferred name
- 1-Benzyl-2-methyl-7-phenylpurin-6-one
- IUPAC
- 1-benzyl-2-methyl-7-phenylpurin-6-one
Names & synonyms
NSC34007983325-14-8DTXSID30319137NSC-3400791-Benzyl-2-methyl-7-phenyl-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
83325-14-8- PubChem CID
- 334573
- DTXSID
DTXSID30319137
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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