U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H4N4S
Molecular Weight 152.177
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-THIOPURINE

SMILES

S=C1NC=C2N=CN=C2N1

InChI

InChIKey=HDBQZGJWHMCXIL-UHFFFAOYSA-N
InChI=1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)

HIDE SMILES / InChI

Molecular Formula C5H4N4S
Molecular Weight 152.177
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:13:39 GMT 2023
Edited
by admin
on Sat Dec 16 09:13:39 GMT 2023
Record UNII
81XK02929C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-THIOPURINE
Common Name English
2H-PURINE-2-THIONE, 1,3-DIHYDRO-
Systematic Name English
NSC-23720
Code English
2H-PURINE-2-THIONE, 3,9-DIHYDRO-
Systematic Name English
PURINE-2-THIOL
Systematic Name English
1,3-DIHYDRO-2H-PURINE-2-THIONE
Systematic Name English
PURINE-2(3H)-THIONE
Systematic Name English
PURINE-2-THIONE
Systematic Name English
2-MERCAPTOPURINE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
248-855-0
Created by admin on Sat Dec 16 09:13:39 GMT 2023 , Edited by admin on Sat Dec 16 09:13:39 GMT 2023
PRIMARY
NSC
23720
Created by admin on Sat Dec 16 09:13:39 GMT 2023 , Edited by admin on Sat Dec 16 09:13:39 GMT 2023
PRIMARY
SMS_ID
100000145200
Created by admin on Sat Dec 16 09:13:39 GMT 2023 , Edited by admin on Sat Dec 16 09:13:39 GMT 2023
PRIMARY
FDA UNII
81XK02929C
Created by admin on Sat Dec 16 09:13:39 GMT 2023 , Edited by admin on Sat Dec 16 09:13:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID60878767
Created by admin on Sat Dec 16 09:13:39 GMT 2023 , Edited by admin on Sat Dec 16 09:13:39 GMT 2023
PRIMARY
CAS
28128-19-0
Created by admin on Sat Dec 16 09:13:39 GMT 2023 , Edited by admin on Sat Dec 16 09:13:39 GMT 2023
PRIMARY
EVMPD
SUB123159
Created by admin on Sat Dec 16 09:13:39 GMT 2023 , Edited by admin on Sat Dec 16 09:13:39 GMT 2023
PRIMARY
PUBCHEM
3015569
Created by admin on Sat Dec 16 09:13:39 GMT 2023 , Edited by admin on Sat Dec 16 09:13:39 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY