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Details

Stereochemistry ACHIRAL
Molecular Formula C16H18N4O2S
Molecular Weight 330.405
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(BUTYLTHIO)-5,6-DIHYDRO-1-(PHENYLMETHYL)-1H-IMIDAZO(4,5-D)PYRIDAZINE-4,7-DIONE

SMILES

CCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O

InChI

InChIKey=KVUMLIVRLQVRNW-UHFFFAOYSA-N
InChI=1S/C16H18N4O2S/c1-2-3-9-23-16-17-12-13(15(22)19-18-14(12)21)20(16)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,21)(H,19,22)

HIDE SMILES / InChI

Molecular Formula C16H18N4O2S
Molecular Weight 330.405
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 12:48:48 GMT 2023
Edited
by admin
on Sat Dec 16 12:48:48 GMT 2023
Record UNII
ZA5TVD7MX5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(BUTYLTHIO)-5,6-DIHYDRO-1-(PHENYLMETHYL)-1H-IMIDAZO(4,5-D)PYRIDAZINE-4,7-DIONE
Systematic Name English
1H-IMIDAZO(4,5-D)PYRIDAZINE-4,7-DIOL, 1-BENZYL-2-(BUTYLTHIO)-
Systematic Name English
NSC-96386
Code English
1H-IMIDAZO(4,5-D)PYRIDAZINE-4,7-DIONE, 2-(BUTYLTHIO)-5,6-DIHYDRO-1-(PHENYLMETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
ZA5TVD7MX5
Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023
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NSC
96386
Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023
PRIMARY
CAS
3434-24-0
Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023
PRIMARY
PUBCHEM
262552
Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID10187912
Created by admin on Sat Dec 16 12:48:48 GMT 2023 , Edited by admin on Sat Dec 16 12:48:48 GMT 2023
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