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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26N8OS
Molecular Weight 450.56
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLTOZASERTIB

SMILES

CC1=CC(NC2=CC(=NC(SC3=CC=C(NC(=O)C4CC4)C=C3)=N2)N5CCNCC5)=NN1

InChI

InChIKey=BMPDSCNEIPYGDD-UHFFFAOYSA-N
InChI=1S/C22H26N8OS/c1-14-12-19(29-28-14)25-18-13-20(30-10-8-23-9-11-30)27-22(26-18)32-17-6-4-16(5-7-17)24-21(31)15-2-3-15/h4-7,12-13,15,23H,2-3,8-11H2,1H3,(H,24,31)(H2,25,26,27,28,29)

HIDE SMILES / InChI

Molecular Formula C22H26N8OS
Molecular Weight 450.56
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
WUU5ROS9AF
Record Status Validated (UNII)
Record Version