Summary

IMPPAT Phytochemical identifier: IMPHY013274

Phytochemical name: 7-Benzylaminooxazolo[5,4-d]pyrimidine

Synonymous chemical names:
7-benzyl amino oxazolo-[5,4-d]-pyrimidine

External chemical identifiers:
CID:15693439

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Chemical structure information

SMILES:
c1ccc(cc1)CNc1ncnc2c1nco2

InChI:
InChI=1S/C12H10N4O/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-11)17-8-16-10/h1-5,7-8H,6H2,(H,13,14,15)

InChIKey:
DSZHCAUNXUQJBI-UHFFFAOYSA-N

DeepSMILES:
cccccc6))CNcncncc6nco5

Functional groups:
cNC, cnc, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CNc2ncnc3ocnc23)cc1

Scaffold Graph/Node level:
C1CCC(CNC2NCNC3OCNC23)CC1

Scaffold Graph level:
C1CCC(CCC2CCCC3CCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzylamines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.904

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Chemical structure download