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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15F2N5O3S
Molecular Weight 395.384
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-2 DESMETHYL-VERUBECESTAT

SMILES

C[C@]1(CS(=O)(=O)NC(N)=N1)C2=CC(NC(=O)C3=CC=C(F)C=N3)=CC=C2F

InChI

InChIKey=UEUHXIANORISLA-INIZCTEOSA-N
InChI=1S/C16H15F2N5O3S/c1-16(8-27(25,26)23-15(19)22-16)11-6-10(3-4-12(11)18)21-14(24)13-5-2-9(17)7-20-13/h2-7H,8H2,1H3,(H,21,24)(H3,19,22,23)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H15F2N5O3S
Molecular Weight 395.384
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
NGR951C3SG
Record Status Validated (UNII)
Record Version