Basic information
- CAS
83325-15-9- Standard SMILES
Cc1nc2ncn(-c3ccccc3)c2c(=O)n1Cc1ccco1- InChIKey
YWHIEKYGCFHTKX-UHFFFAOYSA-N- Molecular formula
- C17H14N4O2
- Average molar mass
- 306.32 g/mol
- Monoisotopic mass
- 306.1116757
Names & identifiers
- Preferred name
- 1-(Furan-2-ylmethyl)-2-methyl-7-phenylpurin-6-one
- IUPAC
- 1-(furan-2-ylmethyl)-2-methyl-7-phenylpurin-6-one
Names & synonyms
NSC34008083325-15-9DTXSID90319138NSC-3400801-[(Furan-2-yl)methyl]-2-methyl-7-phenyl-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
83325-15-9- PubChem CID
- 334574
- DTXSID
DTXSID90319138
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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