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Details

Stereochemistry ACHIRAL
Molecular Formula C16H21BrN4O2
Molecular Weight 381.268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-bromo-4-butoxy-5-methoxy-benzyl)-pyrimidine-2,4-diamine

SMILES

CCCCOC1=CC(Br)=C(CC2=CN=C(N)N=C2N)C=C1OC

InChI

InChIKey=BZLJWRVQIDTHCD-UHFFFAOYSA-N
InChI=1S/C16H21BrN4O2/c1-3-4-5-23-14-8-12(17)10(7-13(14)22-2)6-11-9-20-16(19)21-15(11)18/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-(2-bromo-4-butoxy-5-methoxy-benzyl)-pyrimidine-2,4-diamine
Systematic Name English
2,4-DIAMINO-5-(2-BROMO-4-BUTOXY-5-METHOXYBENZYL)PYRIMIDINE
Preferred Name English
2,4-Pyrimidinediamine, 5-[(2-bromo-4-butoxy-5-methoxyphenyl)methyl]-
Systematic Name English
Pyrimidine, 2,4-diamino-5-(2-bromo-4-butoxy-5-methoxybenzyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
4T2WE87GHL
Created by admin on Tue Apr 01 19:31:55 GMT 2025 , Edited by admin on Tue Apr 01 19:31:55 GMT 2025
PRIMARY
CAS
4871-63-0
Created by admin on Tue Apr 01 19:31:55 GMT 2025 , Edited by admin on Tue Apr 01 19:31:55 GMT 2025
PRIMARY
PUBCHEM
163474649
Created by admin on Tue Apr 01 19:31:55 GMT 2025 , Edited by admin on Tue Apr 01 19:31:55 GMT 2025
PRIMARY
NIH
NCATS
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