1,3,7-trimethyl-8-[(E)-(4-nitrophenyl)methylideneamino]purine-2,6-dione
Basic information
- CAS
6309-60-0- Standard SMILES
Cn1c(=O)c2c(nc(/N=C/c3ccc([N+](=O)[O-])cc3)n2C)n(C)c1=O- InChIKey
BWHXDOVVNGGMNJ-LZYBPNLTSA-N- Molecular formula
- C15H14N6O4
- Average molar mass
- 342.31 g/mol
- Monoisotopic mass
- 342.10765295
Names & identifiers
- Preferred name
- 1,3,7-trimethyl-8-[(E)-(4-nitrophenyl)methylideneamino]purine-2,6-dione
- IUPAC
- 1,3,7-trimethyl-8-[(E)-(4-nitrophenyl)methylideneamino]purine-2,6-dione
Names & synonyms
NSC416016309-60-0NSC-416011,3,7-trimethyl-8-[(E)-(4-nitrophenyl)methyleneamino]purine-2,6-dione1,3,7-Trimethyl-8-[(4-nitro-benzylidene)-amino]-3,7-dihydro-purine-2,6-dione
Database identifiers
- CAS
6309-60-0- PubChem CID
- 9568142
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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