4-((4-(4-((E)-2-CYANOVINYL)-2-(HYDROXYMETHYL)-6-METHYL-ANILINO)PYRIMIDIN-2-YL)AMINO)BENZONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H18N6O
Molecular Weight	382.4179
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-((4-(4-((E)-2-CYANOVINYL)-2-(HYDROXYMETHYL)-6-METHYL-ANILINO)PYRIMIDIN-2-YL)AMINO)BENZONITRILE

Structure Search

SMILES

CC1=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(CO)=CC(\C=C\C#N)=C1

InChI

InChIKey=KRXOLCAKDTZFHM-NSCUHMNNSA-N

InChI=1S/C22H18N6O/c1-15-11-17(3-2-9-23)12-18(14-29)21(15)27-20-8-10-25-22(28-20)26-19-6-4-16(13-24)5-7-19/h2-8,10-12,29H,14H2,1H3,(H2,25,26,27,28)/b3-2+

HIDE SMILES / InChI

Molecular Formula	C22H18N6O
Molecular Weight	382.4179
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 15:16:51 GMT 2023` Edited by `admin` on `Sat Dec 16 15:16:51 GMT 2023`
Record UNII	BJD4RR2QTE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-((4-(4-((E)-2-CYANOVINYL)-2-(HYDROXYMETHYL)-6-METHYL-ANILINO)PYRIMIDIN-2-YL)AMINO)BENZONITRILE

Systematic Name

English

BENZONITRILE, 4-((4-((4-(2-CYANOETHENYL)-2-(HYDROXYMETHYL)-6-METHYLPHENYL)AMINO)-2-PYRIMIDINYL)AMINO)-

Systematic Name

English

RILPIVIRINE METABOLITE 33

Common Name

English

R419763

Code

English

Code System Code Type Description

FDA UNII

BJD4RR2QTE

Created by admin on Sat Dec 16 15:16:51 GMT 2023 , Edited by admin on Sat Dec 16 15:16:51 GMT 2023

PRIMARY

PUBCHEM

125391390

Created by admin on Sat Dec 16 15:16:51 GMT 2023 , Edited by admin on Sat Dec 16 15:16:51 GMT 2023

PRIMARY

CAS

1798429-64-7

Created by admin on Sat Dec 16 15:16:51 GMT 2023 , Edited by admin on Sat Dec 16 15:16:51 GMT 2023

PRIMARY

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