9-benzyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione
Basic information
- CAS
61080-49-7- Standard SMILES
Cn1c(=O)[nH]c2c(nc(-c3ccc(Cl)cc3)n2Cc2ccccc2)c1=O- InChIKey
JNRSHJAEUNGOFW-UHFFFAOYSA-N- Molecular formula
- C19H15ClN4O2
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.0883534
Names & identifiers
- Preferred name
- 9-benzyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione
- IUPAC
- 9-benzyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione
Names & synonyms
NSC28273361080-49-79-benzyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dioneOprea1_209266DTXSID10314408NSC-282733DS-0093519-Benzyl-8-(4-chlorophenyl)-1-methyl-3,9-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
61080-49-7- PubChem CID
- 323339
- DTXSID
DTXSID10314408
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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