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Details

Stereochemistry RACEMIC
Molecular Formula C14H20N4O3S2
Molecular Weight 356.464
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3RS)-3-((((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)THIOCARBAMOYL)SULFANYL)-4-OXOPENTYL ACETATE

SMILES

CC(=O)OCCC(SC(=S)NCC1=CN=C(C)N=C1N)C(C)=O

InChI

InChIKey=KGQSETSDUBYCAU-UHFFFAOYSA-N
InChI=1S/C14H20N4O3S2/c1-8(19)12(4-5-21-10(3)20)23-14(22)17-7-11-6-16-9(2)18-13(11)15/h6,12H,4-5,7H2,1-3H3,(H,17,22)(H2,15,16,18)

HIDE SMILES / InChI

Molecular Formula C14H20N4O3S2
Molecular Weight 356.464
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:51:50 UTC 2023
Edited
by admin
on Thu Jul 06 19:51:50 UTC 2023
Record UNII
QH3NPS1GNI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3RS)-3-((((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)THIOCARBAMOYL)SULFANYL)-4-OXOPENTYL ACETATE
Systematic Name English
KETODITHIOCARBAMATE [EP IMPURITY]
Common Name English
KETODITHIOCARBAMATE
Common Name English
THIAMINE HYDROCHLORIDE IMPURITY H [EP IMPURITY]
Common Name English
THIAMINE NITRATE IMPURITY H [EP IMPURITY]
Common Name English
CARBAMODITHIOIC ACID, ((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-, 1-(2-(ACETYLOXY)ETHYL)-2-OXOPROPYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
289-484-4
Created by admin on Thu Jul 06 19:51:51 UTC 2023 , Edited by admin on Thu Jul 06 19:51:51 UTC 2023
PRIMARY
CAS
89285-03-0
Created by admin on Thu Jul 06 19:51:51 UTC 2023 , Edited by admin on Thu Jul 06 19:51:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID601110943
Created by admin on Thu Jul 06 19:51:51 UTC 2023 , Edited by admin on Thu Jul 06 19:51:51 UTC 2023
PRIMARY
FDA UNII
QH3NPS1GNI
Created by admin on Thu Jul 06 19:51:51 UTC 2023 , Edited by admin on Thu Jul 06 19:51:51 UTC 2023
PRIMARY
PUBCHEM
56843577
Created by admin on Thu Jul 06 19:51:51 UTC 2023 , Edited by admin on Thu Jul 06 19:51:51 UTC 2023
PRIMARY
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