Summary

IMPPAT Phytochemical identifier: IMPHY016835

Phytochemical name: Pyrazine, 1,4-dioxide

Synonymous chemical names:
pyrazine,1,4-dioxide

External chemical identifiers:
CID:520103, ZINC:ZINC000002169167, SureChEMBL:SCHEMBL2700184

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Chemical structure information

SMILES:
[O-]N1C=C[N+](=O)C=C1

InChI:
InChI=1S/C4H4N2O2/c7-5-1-2-6(8)4-3-5/h1-4H

InChIKey:
SXTKIFFXFIDYJF-UHFFFAOYSA-N

DeepSMILES:
[O-]NC=C[N+]=O)C=C6

Functional groups:
c[n+](c)=O, cn(c)[O-]

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=[n+]1cc[nH]cc1

Scaffold Graph/Node level:
ON1CCNCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxoazanium compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.451

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Chemical structure download