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Details

Stereochemistry ACHIRAL
Molecular Formula C23H28N8O2S
Molecular Weight 480.586
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOZASERTIB N-OXIDE, (PIPERAZINE-N-OXIDE)-

SMILES

CC1=CC(NC2=CC(=NC(SC3=CC=C(NC(=O)C4CC4)C=C3)=N2)N5CC[N+](C)([O-])CC5)=NN1

InChI

InChIKey=CJZYEATYOSBZON-UHFFFAOYSA-N
InChI=1S/C23H28N8O2S/c1-15-13-20(29-28-15)25-19-14-21(30-9-11-31(2,33)12-10-30)27-23(26-19)34-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)

HIDE SMILES / InChI

Molecular Formula C23H28N8O2S
Molecular Weight 480.586
Charge -1
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
1S9W4WJ8WL
Record Status Validated (UNII)
Record Version