8H-Imidazo(2,1-f)purine, 8-methyl-7-(4-nitrophenyl)-
Basic information
- CAS
111983-58-5- Standard SMILES
Cn1c(-c2ccc([N+](=O)[O-])cc2)cn2c3cncnc3nc12- InChIKey
JXDNVMGOIQPPRZ-UHFFFAOYSA-N- Molecular formula
- C14H10N6O2
- Average molar mass
- 294.27 g/mol
- Monoisotopic mass
- 294.08652358
Names & identifiers
- Preferred name
- 8H-Imidazo(2,1-f)purine, 8-methyl-7-(4-nitrophenyl)-
- IUPAC
- 6-methyl-7-(4-nitrophenyl)purino[7,8-a]imidazole
Names & synonyms
BRN 56153588H-Imidazo(2,1-f)purine, 8-methyl-7-(4-nitrophenyl)-8-Methyl-7-(4-nitrophenyl)-8H-imidazo(2,1-f)purine111983-58-5DTXSID701497988-Methyl-7-(4-nitrophenyl)-8H-imidazo[2,1-f]purineRefChem:312413DTXCID4072289
Database identifiers
- CAS
111983-58-5- PubChem CID
- 3086785
- DTXSID
DTXSID70149798
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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