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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N8O2S2
Molecular Weight 446.55
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8,8'-(1,4-BUTANEDIYL)BIS(1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE)

SMILES

CN1C2=C(NC(CCCCC3=NC4=C(N3)C(=O)N(C)C(=S)N4C)=N2)C(=O)N(C)C1=S

InChI

InChIKey=NSONFMCGPFMALE-UHFFFAOYSA-N
InChI=1S/C18H22N8O2S2/c1-23-13-11(15(27)25(3)17(23)29)19-9(21-13)7-5-6-8-10-20-12-14(22-10)24(2)18(30)26(4)16(12)28/h5-8H2,1-4H3,(H,19,21)(H,20,22)

HIDE SMILES / InChI

Molecular Formula C18H22N8O2S2
Molecular Weight 446.55
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 13:10:31 GMT 2023
Edited
by admin
on Sat Dec 16 13:10:31 GMT 2023
Record UNII
73I5J2YXW9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8,8'-(1,4-BUTANEDIYL)BIS(1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE)
Systematic Name English
6H-PURIN-6-ONE, 8,8'-(1,4-BUTANEDIYL)BIS(1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-
Systematic Name English
NSC-95926
Code English
THEOPHYLLINE, 8,8'-TETRAMETHYLENEBIS(2-THIO-
Systematic Name English
Code System Code Type Description
FDA UNII
73I5J2YXW9
Created by admin on Sat Dec 16 13:10:31 GMT 2023 , Edited by admin on Sat Dec 16 13:10:31 GMT 2023
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EPA CompTox
DTXSID10214934
Created by admin on Sat Dec 16 13:10:31 GMT 2023 , Edited by admin on Sat Dec 16 13:10:31 GMT 2023
PRIMARY
PUBCHEM
201649
Created by admin on Sat Dec 16 13:10:31 GMT 2023 , Edited by admin on Sat Dec 16 13:10:31 GMT 2023
PRIMARY
CAS
6466-30-4
Created by admin on Sat Dec 16 13:10:31 GMT 2023 , Edited by admin on Sat Dec 16 13:10:31 GMT 2023
PRIMARY
NSC
95926
Created by admin on Sat Dec 16 13:10:31 GMT 2023 , Edited by admin on Sat Dec 16 13:10:31 GMT 2023
PRIMARY