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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 2-Benzylsulfanylmethyl-4-methyl-quinazoline 3-oxide

SMILES

CC1=[N+]([O-])C(CSCC2=CC=CC=C2)=NC3=C1C=CC=C3

InChI

InChIKey=QOJYBNNYWGAXEV-UHFFFAOYSA-N
InChI=1S/C17H16N2OS/c1-13-15-9-5-6-10-16(15)18-17(19(13)20)12-21-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3

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 20:14:54 GMT 2025
Edited
by admin
on Tue Apr 01 20:14:54 GMT 2025
Record UNII
6N7QTP34HW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-50851
Preferred Name English
2-Benzylsulfanylmethyl-4-methyl-quinazoline 3-oxide
Systematic Name English
2-((Benzylthio)methyl)-4-methyl-2,3-dihydroquinazoline 3-oxide
Systematic Name English
Quinazoline, 4-methyl-2-[[(phenylmethyl)thio]methyl]-, 3-oxide
Systematic Name English
Code System Code Type Description
PUBCHEM
493977
Created by admin on Tue Apr 01 20:14:54 GMT 2025 , Edited by admin on Tue Apr 01 20:14:54 GMT 2025
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NSC
50851
Created by admin on Tue Apr 01 20:14:54 GMT 2025 , Edited by admin on Tue Apr 01 20:14:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID40212660
Created by admin on Tue Apr 01 20:14:54 GMT 2025 , Edited by admin on Tue Apr 01 20:14:54 GMT 2025
PRIMARY
CAS
6327-39-5
Created by admin on Tue Apr 01 20:14:54 GMT 2025 , Edited by admin on Tue Apr 01 20:14:54 GMT 2025
PRIMARY
FDA UNII
6N7QTP34HW
Created by admin on Tue Apr 01 20:14:54 GMT 2025 , Edited by admin on Tue Apr 01 20:14:54 GMT 2025
PRIMARY