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Details

Stereochemistry ACHIRAL
Molecular Formula C10H15N5OS
Molecular Weight 253.324
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate

SMILES

COC(NC#N)=NCCSCC1=C(C)N=CN1

InChI

InChIKey=ZYULTRKNQVUZNL-UHFFFAOYSA-N
InChI=1S/C10H15N5OS/c1-8-9(15-7-14-8)5-17-4-3-12-10(16-2)13-6-11/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)

HIDE SMILES / InChI

Molecular Formula C10H15N5OS
Molecular Weight 253.324
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:10:08 GMT 2025
Edited
by admin
on Wed Apr 02 18:10:08 GMT 2025
Record UNII
36WAK6W8U3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cimetidine EP Impurity B
Preferred Name English
Methyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate
Systematic Name English
3-Cyano-2-methyl-1-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethyl]isourea
Systematic Name English
Carbamimidic acid, N-cyano-N?-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
129318324
Created by admin on Wed Apr 02 18:10:09 GMT 2025 , Edited by admin on Wed Apr 02 18:10:09 GMT 2025
PRIMARY
CAS
138035-55-9
Created by admin on Wed Apr 02 18:10:09 GMT 2025 , Edited by admin on Wed Apr 02 18:10:09 GMT 2025
PRIMARY
FDA UNII
36WAK6W8U3
Created by admin on Wed Apr 02 18:10:09 GMT 2025 , Edited by admin on Wed Apr 02 18:10:09 GMT 2025
PRIMARY