Bavtavirine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H20N6
Molecular Weight	416.4772
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(\C=C\C#N)=CC(C)=C1C2=CC=CC3=C(N)N=C(NC4=CC=C(C=C4)C#N)N=C23

InChI

InChIKey=HKETUZQMIFPGNG-SNAWJCMRSA-N

InChI=1S/C26H20N6/c1-16-13-19(5-4-12-27)14-17(2)23(16)21-6-3-7-22-24(21)31-26(32-25(22)29)30-20-10-8-18(15-28)9-11-20/h3-11,13-14H,1-2H3,(H3,29,30,31,32)/b5-4+

HIDE SMILES / InChI

Molecular Formula	C26H20N6
Molecular Weight	416.4772
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 `Wed Apr 02 13:36:58 GMT 2025` Edited by `admin` on `Wed Apr 02 13:36:58 GMT 2025`
Record UNII	KAJ2CK6ZYE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bavtavirine

Official Name

English

bavtavirine [INN]

Preferred Name

English

BENZONITRILE, 4-((4-AMINO-8-(4-((1E)-2-CYANOETHENYL)-2,6-DIMETHYLPHENYL)-2-QUINAZOLINYL)AMINO)-

Systematic Name

English

4-((4-AMINO-8-(4-((1E)-2-CYANOETHENYL)-2,6-DIMETHYLPHENYL)-2-QUINAZOLINYL)AMINO)BENZONITRILE

Systematic Name

English

Code System Code Type Description

SMS_ID

300000051695