Basic information
- CAS
374616-00-9- Standard SMILES
COc1ccc(/C=N\Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1- InChIKey
CDWNIZAKPKFQGO-QRVIBDJDSA-N- Molecular formula
- C22H22N6O3
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.17533859
Names & identifiers
- Preferred name
- 7-benzyl-8-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
- IUPAC
- 7-benzyl-8-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
8-{[(1Z)-2-(4-methoxyphenyl)-1-azavinyl]amino}-1,3-dimethyl-7-benzyl-1,3,7-tri hydropurine-2,6-dione374616-00-9AKOS0051852627-benzyl-8-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dioneST51071926
Database identifiers
- CAS
374616-00-9- PubChem CID
- 5779990
- EC Number
- 120-355-6
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 674
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…