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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15Cl2N5O2S
Molecular Weight 412.294
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LJ-2698

SMILES

O[C@@H]1CS[C@H]([C@@H]1O)N2C=NC3=C(NCC4=CC=CC(Cl)=C4)N=C(Cl)N=C23

InChI

InChIKey=JQUBXCDDRXAMLF-IXPVHAAZSA-N
InChI=1S/C16H15Cl2N5O2S/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LJ-2698
Code English
3,4-THIOPHENEDIOL, 2-(2-CHLORO-6-(((3-CHLOROPHENYL)METHYL)AMINO)-9H-PURIN-9-YL)TETRAHYDRO-, (2R,3R,4S)-
Systematic Name English
(2R,3R,4S)-2-(2-CHLORO-6-(3-CHLOROBENZYLAMINO)-9H-PURIN-9-YL)TETRAHYDROTHIOPHENE-3,4-DIOL
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 796620
Created by admin on Sat Dec 16 18:19:49 GMT 2023 , Edited by admin on Sat Dec 16 18:19:49 GMT 2023
Code System Code Type Description
FDA UNII
L4A6E7Q76T
Created by admin on Sat Dec 16 18:19:49 GMT 2023 , Edited by admin on Sat Dec 16 18:19:49 GMT 2023
PRIMARY
SMS_ID
300000020871
Created by admin on Sat Dec 16 18:19:49 GMT 2023 , Edited by admin on Sat Dec 16 18:19:49 GMT 2023
PRIMARY
PUBCHEM
16735504
Created by admin on Sat Dec 16 18:19:49 GMT 2023 , Edited by admin on Sat Dec 16 18:19:49 GMT 2023
PRIMARY
CAS
945457-84-1
Created by admin on Sat Dec 16 18:19:49 GMT 2023 , Edited by admin on Sat Dec 16 18:19:49 GMT 2023
PRIMARY