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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H24N2OS
Molecular Weight 304.45
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINAZOLINE, 2-((HEPTYLTHIO)METHYL)-4-METHYL-, 3-OXIDE

SMILES

CCCCCCCSCC1=NC2=C(C=CC=C2)C(C)=N1=O

InChI

InChIKey=GVPSBAKXCULPDE-UHFFFAOYSA-N
InChI=1S/C17H24N2OS/c1-3-4-5-6-9-12-21-13-17-18-16-11-8-7-10-15(16)14(2)19(17)20/h7-8,10-11H,3-6,9,12-13H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
QUINAZOLINE, 2-((HEPTYLTHIO)METHYL)-4-METHYL-, 3-OXIDE
Systematic Name English
NSC-50852
Preferred Name English
Code System Code Type Description
FDA UNII
PC607P2E8R
Created by admin on Tue Apr 01 20:12:18 GMT 2025 , Edited by admin on Tue Apr 01 20:12:18 GMT 2025
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NSC
50852
Created by admin on Tue Apr 01 20:12:18 GMT 2025 , Edited by admin on Tue Apr 01 20:12:18 GMT 2025
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PUBCHEM
467024
Created by admin on Tue Apr 01 20:12:18 GMT 2025 , Edited by admin on Tue Apr 01 20:12:18 GMT 2025
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CAS
6327-40-8
Created by admin on Tue Apr 01 20:12:18 GMT 2025 , Edited by admin on Tue Apr 01 20:12:18 GMT 2025
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EPA CompTox
DTXSID00212661
Created by admin on Tue Apr 01 20:12:18 GMT 2025 , Edited by admin on Tue Apr 01 20:12:18 GMT 2025
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