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Details

Stereochemistry ACHIRAL
Molecular Formula C15H12ClFN4O.ClH
Molecular Weight 355.194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N<sup>4</sup>-(3-Chloro-4-fluorophenyl)-7-methoxy-4,6-quinazolinediamine hydrochloride

SMILES

Cl.COC1=CC2=C(C=C1N)C(NC3=CC(Cl)=C(F)C=C3)=NC=N2

InChI

InChIKey=ITBLZHIIUJNNLW-UHFFFAOYSA-N
InChI=1S/C15H12ClFN4O.ClH/c1-22-14-6-13-9(5-12(14)18)15(20-7-19-13)21-8-2-3-11(17)10(16)4-8;/h2-7H,18H2,1H3,(H,19,20,21);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H12ClFN4O
Molecular Weight 318.733
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 20:22:04 GMT 2023
Edited
by admin
on Sat Dec 16 20:22:04 GMT 2023
Record UNII
DV6STJ6ASQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N<sup>4</sup>-(3-Chloro-4-fluorophenyl)-7-methoxy-4,6-quinazolinediamine hydrochloride
Systematic Name English
4,6-Quinazolinediamine, N4-(3-chloro-4-fluorophenyl)-7-methoxy-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
1644484-89-8
Created by admin on Sat Dec 16 20:22:04 GMT 2023 , Edited by admin on Sat Dec 16 20:22:04 GMT 2023
PRIMARY
FDA UNII
DV6STJ6ASQ
Created by admin on Sat Dec 16 20:22:04 GMT 2023 , Edited by admin on Sat Dec 16 20:22:04 GMT 2023
PRIMARY
Related Record Type Details
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