Summary

IMPPAT Phytochemical identifier: IMPHY017571

Phytochemical name: 6-(2-Formylhydrazino)-N,N'-bis(isopropyl)-1,3,5-triazine-2,4-diamine

Synonymous chemical names:
6-(2-formylhydrazino)-n,n-bis(isopropyl)-1,3,5-triazine-2,4-diamine

External chemical identifiers:
CID:620001

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Chemical structure information

SMILES:
O=CNNc1nc(NC(C)C)nc(n1)NC(C)C

InChI:
InChI=1S/C10H19N7O/c1-6(2)12-8-14-9(13-7(3)4)16-10(15-8)17-11-5-18/h5-7H,1-4H3,(H,11,18)(H3,12,13,14,15,16,17)

InChIKey:
BLEYQQMGXTVTNX-UHFFFAOYSA-N

DeepSMILES:
O=CNNcncNCC)C)))ncn6)NCC)C

Functional groups:
cNC, cNNC=O, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ncncn1

Scaffold Graph/Node level:
C1NCNCN1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Triazines

ClassyFire Subclass: Aminotriazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: -0.641

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Chemical structure download