Basic information
- CAS
83325-10-4- Standard SMILES
Cc1nc2ncn(-c3ccccc3)c2c(=O)n1-c1ccccc1- InChIKey
ZJEGAHWNYGDANQ-UHFFFAOYSA-N- Molecular formula
- C18H14N4O
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.11676108
Names & identifiers
- Preferred name
- 2-Methyl-1,7-diphenylpurin-6-one
- IUPAC
- 2-methyl-1,7-diphenylpurin-6-one
Names & synonyms
NSC34007883325-10-4DTXSID70319136NSC-3400782-Methyl-1,7-diphenyl-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
83325-10-4- PubChem CID
- 334572
- DTXSID
DTXSID70319136
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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