DUTACATIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H31N7O
Molecular Weight	421.5385
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N

InChI

InChIKey=IRWDVLZZYSYUAI-UHFFFAOYSA-N

InChI=1S/C23H31N7O/c1-23(2,3)16-27-21-18(14-25-20(13-24)28-21)15-26-22(31)17-5-7-19(8-6-17)30-11-9-29(4)10-12-30/h5-8,14H,9-12,15-16H2,1-4H3,(H,26,31)(H,25,27,28)

HIDE SMILES / InChI

Molecular Formula	C23H31N7O
Molecular Weight	421.5385
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 `Fri Dec 15 16:38:54 UTC 2023` Edited by `admin` on `Fri Dec 15 16:38:54 UTC 2023`
Record UNII	L3M76J6S37
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DUTACATIB

Official Name

English

N-((2-CYANO-4-((2,2-DIMETHYLPROPYL)AMINO)PYRIMIDIN-5-YL)METHYL)-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE

Systematic Name

English

dutacatib [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C471