U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C15H11N3O3S
Molecular Weight 313.331
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6H,7H-PYRIDO(2',1':2,3)PYRIMIDO(5,4-C)(1,2)BENZOTHIAZIN-7-ONE, 6-METHYL-, 5,5-DIOXIDE

SMILES

CN1C2=C(N3C=CC=CC3=NC2=O)C4=C(C=CC=C4)S1(=O)=O

InChI

InChIKey=NZQNEVJEQUMQJB-UHFFFAOYSA-N
InChI=1S/C15H11N3O3S/c1-17-14-13(10-6-2-3-7-11(10)22(17,20)21)18-9-5-4-8-12(18)16-15(14)19/h2-9H,1H3

HIDE SMILES / InChI

Molecular Formula C15H11N3O3S
Molecular Weight 313.331
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
9KAB6U2XFS
Record Status Validated (UNII)
Record Version