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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19N5OS2
Molecular Weight 325.453
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-PYRROLIDINYL)ETHYL)THIO)-6-THIOXO-2H-PURIN-2-ONE

SMILES

CN1C2=C(N=C(N2)SCCN3CCCC3)C(=S)N(C)C1=O

InChI

InChIKey=KLAIFKHPSDRWRR-UHFFFAOYSA-N
InChI=1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H19N5OS2
Molecular Weight 325.453
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 12:55:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:54 GMT 2023
Record UNII
Z451PDS8P0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PYRROLIDINYL)ETHYL)THIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
THEOPHYLLINE, 8-((2-(1-PYRROLIDINYL)ETHYL)THIO)-6-THIO-
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PYRROLIDINYL)ETHYL)THIO)-6-THIOXO-
Systematic Name English
NSC-99657
Code English
THEOPHYLLINE, 8-(2-PYRROLIDINOETHYL)THIO-6-THIO-
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,7-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PYRROLIDINYL)ETHYL)THIO)-6-THIOXO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80215852
Created by admin on Sat Dec 16 12:55:54 GMT 2023 , Edited by admin on Sat Dec 16 12:55:54 GMT 2023
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NSC
99657
Created by admin on Sat Dec 16 12:55:54 GMT 2023 , Edited by admin on Sat Dec 16 12:55:54 GMT 2023
PRIMARY
PUBCHEM
3034554
Created by admin on Sat Dec 16 12:55:54 GMT 2023 , Edited by admin on Sat Dec 16 12:55:54 GMT 2023
PRIMARY
CAS
6559-86-0
Created by admin on Sat Dec 16 12:55:54 GMT 2023 , Edited by admin on Sat Dec 16 12:55:54 GMT 2023
PRIMARY
FDA UNII
Z451PDS8P0
Created by admin on Sat Dec 16 12:55:54 GMT 2023 , Edited by admin on Sat Dec 16 12:55:54 GMT 2023
PRIMARY