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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N2OS
Molecular Weight 296.387
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-2-(((3-METHYLPHENYL)THIO)METHYL)QUINAZOLINE 3-OXIDE

SMILES

CC1=CC(SCC2=NC3=C(C=CC=C3)C(C)=[N+]2[O-])=CC=C1

InChI

InChIKey=ZBDZTMFSGSQQIB-UHFFFAOYSA-N
InChI=1S/C17H16N2OS/c1-12-6-5-7-14(10-12)21-11-17-18-16-9-4-3-8-15(16)13(2)19(17)20/h3-10H,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H16N2OS
Molecular Weight 296.387
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 Tue Apr 01 19:37:59 GMT 2025
Edited
by admin
on Tue Apr 01 19:37:59 GMT 2025
Record UNII
PSZ7R73RJY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-2-(((3-METHYLPHENYL)THIO)METHYL)QUINAZOLINE 3-OXIDE
Systematic Name English
NSC-64055
Preferred Name English
QUINAZOLINE, 4-METHYL-2-((M-TOLYLTHIO)METHYL)-, 3-OXIDE
Systematic Name English
QUINAZOLINE, 4-METHYL-2-(((3-METHYLPHENYL)THIO)METHYL)-, 3-OXIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80222829
Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025
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NSC
64055
Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025
PRIMARY
PUBCHEM
479301
Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025
PRIMARY
CAS
7251-55-0
Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025
PRIMARY
FDA UNII
PSZ7R73RJY
Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025
PRIMARY