Basic information
- CAS
83325-08-0- Standard SMILES
CCC(C)n1c(C)nc2ncn(-c3ccccc3)c2c1=O- InChIKey
SRYGKRISUNDMOT-UHFFFAOYSA-N- Molecular formula
- C16H18N4O
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.14806121
Names & identifiers
- Preferred name
- 1-Butan-2-yl-2-methyl-7-phenylpurin-6-one
- IUPAC
- 1-butan-2-yl-2-methyl-7-phenylpurin-6-one
Names & synonyms
NSC34007783325-08-0DTXSID10319135NSC-3400771-(Butan-2-yl)-2-methyl-7-phenyl-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
83325-08-0- PubChem CID
- 334571
- DTXSID
DTXSID10319135
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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