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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26N8OS
Molecular Weight 450.5618
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLTOZASERTIB

SMILES

Cc1cc(=Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCNCC5)[nH][nH]1

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 450.5618
Charge 0
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 15:35:26 UTC 2021
Edited
by admin
on Sat Jun 26 15:35:26 UTC 2021
Record UNII
WUU5ROS9AF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYLTOZASERTIB
Common Name English
CYCLOPROPANECARBOXAMIDE, N-(4-((4-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-6-(1-PIPERAZINYL)-2-PYRIMIDINYL)THIO)PHENYL)-
Systematic Name English
VRT-171335
Common Name English
N-(4-((4-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-6-(1-PIPERAZINYL)-2-PYRIMIDINYL)THIO)PHENYL)CYCLOPROPANECARBOXAMIDE
Systematic Name English
DES(N-METHYL)TOZASERTIB
Common Name English
Code System Code Type Description
FDA UNII
WUU5ROS9AF
Created by admin on Sat Jun 26 15:35:27 UTC 2021 , Edited by admin on Sat Jun 26 15:35:27 UTC 2021
PRIMARY
CAS
639089-60-4
Created by admin on Sat Jun 26 15:35:27 UTC 2021 , Edited by admin on Sat Jun 26 15:35:27 UTC 2021
PRIMARY
PUBCHEM
10321534
Created by admin on Sat Jun 26 15:35:27 UTC 2021 , Edited by admin on Sat Jun 26 15:35:27 UTC 2021
PRIMARY
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