U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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-(((2-methylphenyl)thio)methyl)Quinazoline-3-oxide

SMILES

CC1=CC=CC=C1SCC2=NC3=C(C=CC=C3)C(C)=[N+]2[O-]

InChI

InChIKey=FPWWUQVRNOSGRZ-UHFFFAOYSA-N
InChI=1S/C17H16N2OS/c1-12-7-3-6-10-16(12)21-11-17-18-15-9-5-4-8-14(15)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 20:01:38 GMT 2025
Edited
by admin
on Tue Apr 01 20:01:38 GMT 2025
Record UNII
F9E7MFM5JK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-64054
Preferred Name English
4-methyl-2-(((2-methylphenyl)thio)methyl)Quinazoline-3-oxide
Systematic Name English
Quinazoline, 4-methyl-2-(((2-methylphenyl)thio)methyl)-, 3-oxide
Systematic Name English
4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-3-oxidoquinazolin-3-ium
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80219916
Created by admin on Tue Apr 01 20:01:38 GMT 2025 , Edited by admin on Tue Apr 01 20:01:38 GMT 2025
PRIMARY
PUBCHEM
461774
Created by admin on Tue Apr 01 20:01:38 GMT 2025 , Edited by admin on Tue Apr 01 20:01:38 GMT 2025
PRIMARY
CAS
6965-82-8
Created by admin on Tue Apr 01 20:01:38 GMT 2025 , Edited by admin on Tue Apr 01 20:01:38 GMT 2025
PRIMARY
NSC
64054
Created by admin on Tue Apr 01 20:01:38 GMT 2025 , Edited by admin on Tue Apr 01 20:01:38 GMT 2025
PRIMARY
FDA UNII
F9E7MFM5JK
Created by admin on Tue Apr 01 20:01:38 GMT 2025 , Edited by admin on Tue Apr 01 20:01:38 GMT 2025
PRIMARY