Basic information
- CAS
83325-20-6- Standard SMILES
COc1cc(-n2c(C)nc3ncn(-c4ccccc4)c3c2=O)cc(OC)c1OC- InChIKey
ZLSWQKSTWTYLDZ-UHFFFAOYSA-N- Molecular formula
- C21H20N4O4
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.14845513
Names & identifiers
- Preferred name
- Mls003116018
- IUPAC
- 2-methyl-7-phenyl-1-(3,4,5-trimethoxyphenyl)purin-6-one
Names & synonyms
MLS00311601883325-20-6DTXSID60319140RefChem:357331DTXCID20270263NSC340082NSC-340082SMR0018315762-Methyl-7-phenyl-1-(3,4,5-trimethoxyphenyl)-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
83325-20-6- PubChem CID
- 334576
- DTXSID
DTXSID60319140
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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