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Details

Stereochemistry ACHIRAL
Molecular Formula C17H22N6O2
Molecular Weight 342.3956
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(3-Nitro-4-piperidinophenyl)-6-ethyl-2,4-pyrimidinediamine

SMILES

CCC1=NC(N)=NC(N)=C1C2=CC=C(N3CCCCC3)C(=C2)[N+]([O-])=O

InChI

InChIKey=SGWVNXVUSVARKJ-UHFFFAOYSA-N
InChI=1S/C17H22N6O2/c1-2-12-15(16(18)21-17(19)20-12)11-6-7-13(14(10-11)23(24)25)22-8-4-3-5-9-22/h6-7,10H,2-5,8-9H2,1H3,(H4,18,19,20,21)

HIDE SMILES / InChI

Molecular Formula C17H22N6O2
Molecular Weight 342.3956
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:30:26 GMT 2025
Edited
by admin
on Tue Apr 01 19:30:26 GMT 2025
Record UNII
HGM26E28GV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-319949
Preferred Name English
5-(3-Nitro-4-piperidinophenyl)-6-ethyl-2,4-pyrimidinediamine
Systematic Name English
6-ethyl-5-(3-nitro-4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
Systematic Name English
6-Ethyl-5-[3-nitro-4-(1-piperidinyl)phenyl]-2,4-pyrimidinediamine
Systematic Name English
2,4-Pyrimidinediamine, 6-ethyl-5-[3-nitro-4-(1-piperidinyl)phenyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
330712
Created by admin on Tue Apr 01 19:30:26 GMT 2025 , Edited by admin on Tue Apr 01 19:30:26 GMT 2025
PRIMARY
FDA UNII
HGM26E28GV
Created by admin on Tue Apr 01 19:30:26 GMT 2025 , Edited by admin on Tue Apr 01 19:30:26 GMT 2025
PRIMARY
NSC
319949
Created by admin on Tue Apr 01 19:30:26 GMT 2025 , Edited by admin on Tue Apr 01 19:30:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID30146501
Created by admin on Tue Apr 01 19:30:26 GMT 2025 , Edited by admin on Tue Apr 01 19:30:26 GMT 2025
PRIMARY
CAS
104484-42-6
Created by admin on Tue Apr 01 19:30:26 GMT 2025 , Edited by admin on Tue Apr 01 19:30:26 GMT 2025
PRIMARY