4-(2-Furyl)-1-(3-nitrobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine

HCID 22015489
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Basic information

Standard SMILES
Nc1nc(-c2ccco2)c2cnn(Cc3cccc([N+](=O)[O-])c3)c2n1
InChIKey
LBRPYUOVBLAKJP-UHFFFAOYSA-N
Molecular formula
C16H12N6O3
Average molar mass
336.3 g/mol

Names & identifiers

Preferred name
4-(2-Furyl)-1-(3-nitrobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
IUPAC
4-(furan-2-yl)-1-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine

Names & synonyms

CHEMBL256360SCHEMBL4452866LBRPYUOVBLAKJP-UHFFFAOYSA-NBDBM503775344-(2-Furyl)-1-(3-nitrobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine

Database identifiers

PubChem CID
22015489
ChEMBL
CHEMBL256360

Properties

Computed structural properties

XLogP
2
Topological polar surface area
129 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
25

Related reactions

6 records
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Linked notes

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