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Details

Stereochemistry UNKNOWN
Molecular Formula C27H27N7O3S
Molecular Weight 529.613
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R)-2-ACETAMIDO-3-(2-CYANO-1-(4-((2-(4-CYANOANILINO)PYRIMIDIN-4-YL)AMINO)-3,5-DIMETHYL-PHENYL)ETHYL)SULFANYL-PROPANOIC ACID

SMILES

CC(=O)N[C@@H](CSC(CC#N)C1=CC(C)=C(NC2=CC=NC(NC3=CC=C(C=C3)C#N)=N2)C(C)=C1)C(O)=O

InChI

InChIKey=XVPHLXRKEFGORH-NQCNTLBGSA-N
InChI=1S/C27H27N7O3S/c1-16-12-20(23(8-10-28)38-15-22(26(36)37)31-18(3)35)13-17(2)25(16)33-24-9-11-30-27(34-24)32-21-6-4-19(14-29)5-7-21/h4-7,9,11-13,22-23H,8,15H2,1-3H3,(H,31,35)(H,36,37)(H2,30,32,33,34)/t22-,23?/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H27N7O3S
Molecular Weight 529.613
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 03:27:10 GMT 2025
Edited
by admin
on Wed Apr 02 03:27:10 GMT 2025
Record UNII
RJ53F4T767
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
R378523
Preferred Name English
(2R)-2-ACETAMIDO-3-(2-CYANO-1-(4-((2-(4-CYANOANILINO)PYRIMIDIN-4-YL)AMINO)-3,5-DIMETHYL-PHENYL)ETHYL)SULFANYL-PROPANOIC ACID
Common Name English
RILPIVIRINE METABOLITE 18
Common Name English
Code System Code Type Description
FDA UNII
RJ53F4T767
Created by admin on Wed Apr 02 03:27:10 GMT 2025 , Edited by admin on Wed Apr 02 03:27:10 GMT 2025
PRIMARY
PUBCHEM
155928827
Created by admin on Wed Apr 02 03:27:10 GMT 2025 , Edited by admin on Wed Apr 02 03:27:10 GMT 2025
PRIMARY
Related Record Type Details
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