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Details

Stereochemistry RACEMIC
Molecular Formula C16H19F3N4O2S.ClH
Molecular Weight 424.869
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of SRI-37330 hydrochloride

SMILES

Cl.CS(=O)(=O)NCC1CCCN(C1)C2=NC=NC3=C2C=C(C=C3)C(F)(F)F

InChI

InChIKey=SIWGSSRKYJTJTF-UHFFFAOYSA-N
InChI=1S/C16H19F3N4O2S.ClH/c1-26(24,25)22-8-11-3-2-6-23(9-11)15-13-7-12(16(17,18)19)4-5-14(13)20-10-21-15;/h4-5,7,10-11,22H,2-3,6,8-9H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C16H19F3N4O2S
Molecular Weight 388.408
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
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
KM5HBB296V
Record Status Validated (UNII)
Record Version