4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H19N3
Molecular Weight	313.3957
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile

Structure Search

SMILES

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChIKey=GQJHPVOLXNKXKB-UHFFFAOYSA-N

InChI=1S/C21H19N3/c1-2-3-4-16-5-9-18(10-6-16)20-14-23-21(24-15-20)19-11-7-17(13-22)8-12-19/h5-12,14-15H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C21H19N3
Molecular Weight	313.3957
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 `Tue Apr 01 17:41:14 GMT 2025` Edited by `admin` on `Tue Apr 01 17:41:14 GMT 2025`
Record UNII	VP7CA5Z2M5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile

Systematic Name

English

Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-

Preferred Name

English

5-(4-Butylphenyl)-2-(4-cyanophenyl)pyrimidine

Systematic Name

English

Code System Code Type Description

FDA UNII

VP7CA5Z2M5

Created by admin on Tue Apr 01 17:41:14 GMT 2025 , Edited by admin on Tue Apr 01 17:41:14 GMT 2025

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PUBCHEM

113397

Created by admin on Tue Apr 01 17:41:14 GMT 2025 , Edited by admin on Tue Apr 01 17:41:14 GMT 2025

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ECHA (EC/EINECS)

264-370-7

Created by admin on Tue Apr 01 17:41:14 GMT 2025 , Edited by admin on Tue Apr 01 17:41:14 GMT 2025

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CAS

63617-61-8

Created by admin on Tue Apr 01 17:41:14 GMT 2025 , Edited by admin on Tue Apr 01 17:41:14 GMT 2025

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EPA CompTox

DTXSID5069968

Created by admin on Tue Apr 01 17:41:14 GMT 2025 , Edited by admin on Tue Apr 01 17:41:14 GMT 2025

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