8-[(2-Furylmethyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
309938-21-4- Standard SMILES
Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2cccc3ccccc23)n(C)c1=O- InChIKey
OQAPAZLSQNEDJK-UHFFFAOYSA-N- Molecular formula
- C23H21N5O3
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.16443955
Names & identifiers
- Preferred name
- 8-[(2-Furylmethyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
- English name
- 8-[(2-furylmethyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
- Molecular formula
- C23H21N5O3
- Molecular weight
- 415.44
Names & synonyms
309938-21-48-[(2-furylmethyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione8-((2-FURYLMETHYL)AMINO)-1,3-DIMETHYL-7-(1-NAPHTHYLMETHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONERefChem:547244631-768-08-((Furan-2-ylmethyl)amino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-(furan-2-ylmethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dioneOprea1_172355Oprea1_498487STK093631AKOS000662952
Show more names
1H-Purine-2,6-dione, 8-[(2-furanylmethyl)amino]-3,7-dihydro-1,3-dimethyl-7-(1-naphthalenylmethyl)-
AO-343/373580198-[(furan-2-ylmethyl)amino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 690
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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