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Details

Stereochemistry ACHIRAL
Molecular Formula C20H15BrN6O3
Molecular Weight 467.275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(6-AMINO-5-BROMO-2-(4-CYANOANILINO)PYRIMIDIN-4-YL)OXY-2-HYDROXY-3-(HYDROXYMETHYL)-5-METHYL-BENZONITRILE

SMILES

CC1=C(OC2=NC(NC3=CC=C(C=C3)C#N)=NC(N)=C2Br)C(CO)=C(O)C(=C1)C#N

InChI

InChIKey=XLUPXDXSGADNSN-UHFFFAOYSA-N
InChI=1S/C20H15BrN6O3/c1-10-6-12(8-23)16(29)14(9-28)17(10)30-19-15(21)18(24)26-20(27-19)25-13-4-2-11(7-22)3-5-13/h2-6,28-29H,9H2,1H3,(H3,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula C20H15BrN6O3
Molecular Weight 467.275
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 Thu Jul 06 20:29:30 UTC 2023
Edited
by admin
on Thu Jul 06 20:29:30 UTC 2023
Record UNII
X66F6WJU25
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(6-AMINO-5-BROMO-2-(4-CYANOANILINO)PYRIMIDIN-4-YL)OXY-2-HYDROXY-3-(HYDROXYMETHYL)-5-METHYL-BENZONITRILE
Systematic Name English
ETRAVIRINE METABOLITE M5/6
Common Name English
Code System Code Type Description
FDA UNII
X66F6WJU25
Created by admin on Thu Jul 06 20:29:30 UTC 2023 , Edited by admin on Thu Jul 06 20:29:30 UTC 2023
PRIMARY
PUBCHEM
155928853
Created by admin on Thu Jul 06 20:29:30 UTC 2023 , Edited by admin on Thu Jul 06 20:29:30 UTC 2023
PRIMARY
Related Record Type Details
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