DESMETHYLTOZASERTIB

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 Search

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

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 Dec 16 15:21:26 UTC 2023` Edited by `admin` on `Sat Dec 16 15:21:26 UTC 2023`
Record UNII	WUU5ROS9AF
Record Status	`Validated (UNII)`
Record Version

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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 Dec 16 15:21:26 UTC 2023 , Edited by admin on Sat Dec 16 15:21:26 UTC 2023

PRIMARY

CAS

639089-60-4

Created by admin on Sat Dec 16 15:21:26 UTC 2023 , Edited by admin on Sat Dec 16 15:21:26 UTC 2023

PRIMARY

PUBCHEM

10321534

Created by admin on Sat Dec 16 15:21:26 UTC 2023 , Edited by admin on Sat Dec 16 15:21:26 UTC 2023

PRIMARY

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