Summary

IMPPAT Phytochemical identifier: IMPHY000646

Phytochemical name: 2-Hydroxy-4-amino-6-isopropylamino-s-triazine

Synonymous chemical names:
2-hydroxy-4-amino-6-isopropylamino-s-triazine

External chemical identifiers:
CID:107740

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Chemical structure information

SMILES:
CC(Nc1[nH]c(N)nc(=O)n1)C

InChI:
InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12)

InChIKey:
GCKLGRUZDXSATG-UHFFFAOYSA-N

DeepSMILES:
CCNc[nH]cN)nc=O)n6)))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1nc[nH]cn1

Scaffold Graph/Node level:
OC1NCNCN1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Triazines

ClassyFire Subclass: 1,3,5-triazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: pteridine alkaloids

NP-Likeness score: -0.166

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Chemical structure download