Summary

IMPPAT Phytochemical identifier: IMPHY015269

Phytochemical name: Pyrazine, 2-methoxy-5-(2-methylpropyl)-

Synonymous chemical names:
2-methoxy-5-(2-methylpropyl) pyrazine

External chemical identifiers:
CID:118950

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Chemical structure information

SMILES:
COc1cnc(cn1)CC(C)C

InChI:
InChI=1S/C9H14N2O/c1-7(2)4-8-5-11-9(12-3)6-10-8/h5-7H,4H2,1-3H3

InChIKey:
UUQFBIDVEIWACK-UHFFFAOYSA-N

DeepSMILES:
COccnccn6))CCC)C

Functional groups:
cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnccn1

Scaffold Graph/Node level:
C1CNCCN1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazines

ClassyFire Subclass: Pyrazines

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides

NP Classifier Superclass: Tetramate alkaloids, Peptide alkaloids

NP Classifier Class: Pyrazine and Piperazine alkaloids

NP-Likeness score: -0.841

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Chemical structure download