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Details

Stereochemistry ACHIRAL
Molecular Formula C23H28N8O2S
Molecular Weight 480.5878
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

Cc1cc(=Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(=O)(C)CC5)[nH][nH]1

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 C23H29N8O2S
Molecular Weight 481.5957
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:59:27 UTC 2021
Edited
by admin
on Sat Jun 26 14:59:27 UTC 2021
Record UNII
1S9W4WJ8WL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOZASERTIB N-OXIDE, (PIPERAZINE-N-OXIDE)-
Common Name English
N-(4-((4-(4-METHYL-4-OXIDO-1-PIPERAZINYL)-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-2-PYRIMIDINYL)THIO)PHENYL)CYCLOPROPANECARBOXAMIDE
Systematic Name English
VRT-7500074
Common Name English
CYCLOPROPANECARBOXYLIC ACID N-(4-((4-(4-METHYL-4-OXOPIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)PYRIMIDIN-2-YL)SULFANYL)PHENYL)AMIDE
Systematic Name English
CYCLOPROPANECARBOXAMIDE, N-(4-((4-(4-METHYL-4-OXIDO-1-PIPERAZINYL)-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-2-PYRIMIDINYL)THIO)PHENYL)-
Systematic Name English
Code System Code Type Description
CAS
639089-72-8
Created by admin on Sat Jun 26 14:59:27 UTC 2021 , Edited by admin on Sat Jun 26 14:59:27 UTC 2021
PRIMARY
FDA UNII
1S9W4WJ8WL
Created by admin on Sat Jun 26 14:59:27 UTC 2021 , Edited by admin on Sat Jun 26 14:59:27 UTC 2021
PRIMARY
PUBCHEM
10028135
Created by admin on Sat Jun 26 14:59:27 UTC 2021 , Edited by admin on Sat Jun 26 14:59:27 UTC 2021
PRIMARY
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