4-((7-((E)-2-CYANOVINYL)-9-METHYL-5,10-DIHYDROPYRIMIDO(4,5-B)QUINOLIN-2-YL)AMINO)BENZONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H16N6
Molecular Weight	364.4026
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-((7-((E)-2-CYANOVINYL)-9-METHYL-5,10-DIHYDROPYRIMIDO(4,5-B)QUINOLIN-2-YL)AMINO)BENZONITRILE

Structure Search

SMILES

CC1=C2NC3=NC(NC4=CC=C(C=C4)C#N)=NC=C3CC2=CC(\C=C\C#N)=C1

InChI

InChIKey=IKSPUARNCIDQLB-NSCUHMNNSA-N

InChI=1S/C22H16N6/c1-14-9-16(3-2-8-23)10-17-11-18-13-25-22(28-21(18)27-20(14)17)26-19-6-4-15(12-24)5-7-19/h2-7,9-10,13H,11H2,1H3,(H2,25,26,27,28)/b3-2+

HIDE SMILES / InChI

Molecular Formula	C22H16N6
Molecular Weight	364.4026
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:36:53 UTC 2023` Edited by `admin` on `Sat Dec 16 11:36:53 UTC 2023`
Record UNII	H3I86517OH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-((7-((E)-2-CYANOVINYL)-9-METHYL-5,10-DIHYDROPYRIMIDO(4,5-B)QUINOLIN-2-YL)AMINO)BENZONITRILE

Systematic Name

English

RILPIVIRINE METABOLITE 27

Common Name

English

Code System Code Type Description

PUBCHEM

138393943

Created by admin on Sat Dec 16 11:36:53 UTC 2023 , Edited by admin on Sat Dec 16 11:36:53 UTC 2023

PRIMARY

FDA UNII

H3I86517OH

Created by admin on Sat Dec 16 11:36:53 UTC 2023 , Edited by admin on Sat Dec 16 11:36:53 UTC 2023

PRIMARY

Related Record Type Details


					FI96A8X663

RILPIVIRINE

PARENT -> METABOLITE

Amount: