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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H11ClN4OS
Molecular Weight 306.771
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-142721

SMILES

C[C@H](SC1=NC(Cl)=CC(N)=N1)C2=NC=C3OC=CC3=C2

InChI

InChIKey=ATCRIOJPQXDFNY-ZETCQYMHSA-N
InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H11ClN4OS
Molecular Weight 306.771
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
2002-03
(-)-6-Chloro-2-[(1-furo[2, 3-c]pyridin-5-ylethyl)thio]-4-pyrimidinamine, PNU-142721, a new broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitor.
1998-04-23
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:29:28 GMT 2025
Edited
by admin
on Mon Mar 31 18:29:28 GMT 2025
Record UNII
U3D0LYB7P0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-PNU-142721
Preferred Name English
PNU-142721
Common Name English
4-PYRIMIDINAMINE, 6-CHLORO-2-(((1S)-1-FURO(2,3-C)PYRIDIN-5-YLETHYL)THIO)-
Systematic Name English
4-PYRIMIDINAMINE, 6-CHLORO-2-((1-FURO(2,3-C)PYRIDIN-5-YLETHYL)THIO)-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
446309
Created by admin on Mon Mar 31 18:29:28 GMT 2025 , Edited by admin on Mon Mar 31 18:29:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID30332220
Created by admin on Mon Mar 31 18:29:28 GMT 2025 , Edited by admin on Mon Mar 31 18:29:28 GMT 2025
PRIMARY
DRUG BANK
DB08414
Created by admin on Mon Mar 31 18:29:28 GMT 2025 , Edited by admin on Mon Mar 31 18:29:28 GMT 2025
PRIMARY
CAS
185220-03-5
Created by admin on Mon Mar 31 18:29:28 GMT 2025 , Edited by admin on Mon Mar 31 18:29:28 GMT 2025
PRIMARY
FDA UNII
U3D0LYB7P0
Created by admin on Mon Mar 31 18:29:28 GMT 2025 , Edited by admin on Mon Mar 31 18:29:28 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY