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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19N5OS
Molecular Weight 341.431
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIMUROSERTIB

SMILES

CC1=NNC=C1C2=CC3=C(S2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5

InChI

InChIKey=XGVXKJKTISMIOW-ZDUSSCGKSA-N
InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H19N5OS
Molecular Weight 341.431
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

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Substance Class Chemical
Record UNII
LST350G3XU
Record Status Validated (UNII)
Record Version