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Details

Stereochemistry ACHIRAL
Molecular Formula C21H24N4
Molecular Weight 332.4421
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(4-PHENYLBUTYL)-6-(PHENYLMETHYL)-2,4-PYRIMIDINEDIAMINE

SMILES

NC1=NC(CC2=CC=CC=C2)=C(CCCCC3=CC=CC=C3)C(N)=N1

InChI

InChIKey=HUPMNOPXQPCXMA-UHFFFAOYSA-N
InChI=1S/C21H24N4/c22-20-18(14-8-7-11-16-9-3-1-4-10-16)19(24-21(23)25-20)15-17-12-5-2-6-13-17/h1-6,9-10,12-13H,7-8,11,14-15H2,(H4,22,23,24,25)

HIDE SMILES / InChI

Molecular Formula C21H24N4
Molecular Weight 332.4421
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 Sat Dec 16 11:52:40 GMT 2023
Edited
by admin
on Sat Dec 16 11:52:40 GMT 2023
Record UNII
E251AX4ER2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(4-PHENYLBUTYL)-6-(PHENYLMETHYL)-2,4-PYRIMIDINEDIAMINE
Systematic Name English
PYRIMIDINE, 2,4-DIAMINO-6-BENZYL-5-(4-PHENYLBUTYL)-
Systematic Name English
2,4-PYRIMIDINEDIAMINE, 5-(4-PHENYLBUTYL)-6-(PHENYLMETHYL)-
Systematic Name English
NSC-91410
Code English
Code System Code Type Description
EPA CompTox
DTXSID10179155
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
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PUBCHEM
260321
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
PRIMARY
CAS
2440-80-4
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
PRIMARY
FDA UNII
E251AX4ER2
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
PRIMARY
NSC
91410
Created by admin on Sat Dec 16 11:52:40 GMT 2023 , Edited by admin on Sat Dec 16 11:52:40 GMT 2023
PRIMARY