Summary

IMPPAT Phytochemical identifier: IMPHY006069

Phytochemical name: 5-Hydroxyuracil

Synonymous chemical names:
5-hydroxyuracil

External chemical identifiers:
CID:73268, ChEMBL:CHEMBL1561505, ChEBI:29115, ZINC:ZINC000100019684, SureChEMBL:SCHEMBL48366

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Chemical structure information

SMILES:
Oc1c[nH]c(=O)[nH]c1=O

InChI:
InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)

InChIKey:
OFJNVANOCZHTMW-UHFFFAOYSA-N

DeepSMILES:
Occ[nH]c=O)[nH]c6=O

Functional groups:
c=O, cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc[nH]c(=O)[nH]1

Scaffold Graph/Node level:
OC1CCNC(O)N1

Scaffold Graph level:
CC1CCCC(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazines

ClassyFire Subclass: Pyrimidines and pyrimidine derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: pteridine alkaloids

NP-Likeness score: 0.009

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Chemical structure download