ITACNOSERTIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H28N8O
Molecular Weight	468.5535
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(NC2=NC(NC3=CC=CN=C3C4=CC=CC=N4)=CC=N2)=CC=C1N5CCN(C)CC5

InChI

InChIKey=XSQKEVGTZSBVBR-UHFFFAOYSA-N

InChI=1S/C26H28N8O/c1-33-14-16-34(17-15-33)22-9-8-19(18-23(22)35-2)30-26-29-13-10-24(32-26)31-21-7-5-12-28-25(21)20-6-3-4-11-27-20/h3-13,18H,14-17H2,1-2H3,(H2,29,30,31,32)

HIDE SMILES / InChI

Molecular Formula	C26H28N8O
Molecular Weight	468.5535
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 16:12:09 GMT 2023` Edited by `admin` on `Sat Dec 16 16:12:09 GMT 2023`
Record UNII	22Z53X5LHF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ITACNOSERTIB

Official Name

English

itacnosertib [INN]

Common Name

English

N2-(3-METHOXY-4-(4-METHYLPIPERAZIN-1-YL)PHENYL)-N4-(2-(PYRIDIN-2-YL)PYRIDIN-3-YL)PYRIMIDINE-2,4-DIAMINE

Systematic Name

English

Itacnosertib [WHO-DD]

Common Name

English

2,4-PYRIMIDINEDIAMINE, N4-(2,2'-BIPYRIDIN)-3-YL-N2-(3-METHOXY-4-(4-METHYL-1-PIPERAZINYL)PHENYL)-

Systematic Name

English

Code System Code Type Description

CAS

1628870-27-8