Summary

IMPPAT Phytochemical identifier: IMPHY006988

Phytochemical name: Hypoxanthine

Synonymous chemical names:
hypoxanthine

External chemical identifiers:
CID:790, ChEMBL:CHEMBL1427, ChEBI:17368, ZINC:ZINC000018153302, FDASRS:2TN51YD919, SureChEMBL:SCHEMBL25381, MolPort-003-941-579

---

Chemical structure information

SMILES:
O=c1nc[nH]c2c1[nH]cn2

InChI:
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

InChIKey:
FDGQSTZJBFJUBT-UHFFFAOYSA-N

DeepSMILES:
O=cnc[nH]cc6[nH]cn5

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1nc[nH]c2nc[nH]c12

Scaffold Graph/Node level:
OC1NCNC2NCNC12

Scaffold Graph level:
CC1CCCC2CCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Imidazopyrimidines

ClassyFire Subclass: Purines and purine derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Purine alkaloids

NP-Likeness score: -0.149

---

Chemical structure download