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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H21N5OS2
Molecular Weight 339.479
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PIPERIDINYL)ETHYL)THIO)-6-THIOXO-2H-PURIN-2-ONE

SMILES

CN1C2=C(N=C(N2)SCCN3CCCCC3)C(=S)N(C)C1=O

InChI

InChIKey=KRNRCKVBLPHZPG-UHFFFAOYSA-N
InChI=1S/C14H21N5OS2/c1-17-11-10(12(21)18(2)14(17)20)15-13(16-11)22-9-8-19-6-4-3-5-7-19/h3-9H2,1-2H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C14H21N5OS2
Molecular Weight 339.479
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 Sat Dec 16 14:42:42 GMT 2023
Edited
by admin
on Sat Dec 16 14:42:42 GMT 2023
Record UNII
NK34ILR06E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PIPERIDINYL)ETHYL)THIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
THEOPHYLLINE, 8-((2-PIPERIDINOETHYL)THIO)-6-THIO-
Common Name English
NSC-98001
Code English
THEOPHYLLINE, 8-(2-(PIPERIDINOETHYL)THIO)-6-THIO-
Common Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PIPERIDINYL)ETHYL)THIO)-6-THIOXO-
Systematic Name English
Code System Code Type Description
FDA UNII
NK34ILR06E
Created by admin on Sat Dec 16 14:42:42 GMT 2023 , Edited by admin on Sat Dec 16 14:42:42 GMT 2023
PRIMARY
PUBCHEM
3034549
Created by admin on Sat Dec 16 14:42:42 GMT 2023 , Edited by admin on Sat Dec 16 14:42:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID10215244
Created by admin on Sat Dec 16 14:42:42 GMT 2023 , Edited by admin on Sat Dec 16 14:42:42 GMT 2023
PRIMARY
CAS
6493-46-5
Created by admin on Sat Dec 16 14:42:42 GMT 2023 , Edited by admin on Sat Dec 16 14:42:42 GMT 2023
PRIMARY
NSC
98001
Created by admin on Sat Dec 16 14:42:42 GMT 2023 , Edited by admin on Sat Dec 16 14:42:42 GMT 2023
PRIMARY