4-(5-Pentyl-2-pyrimidinyl)benzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H17N3
Molecular Weight	251.3263
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(5-Pentyl-2-pyrimidinyl)benzonitrile

Structure Search

SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

InChI

InChIKey=RGONNDWSVOCREF-UHFFFAOYSA-N

InChI=1S/C16H17N3/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,11-12H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C16H17N3
Molecular Weight	251.3263
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 20:22:51 GMT 2025` Edited by `admin` on `Tue Apr 01 20:22:51 GMT 2025`
Record UNII	R8HL9GKC8U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(5-Pentyl-2-pyrimidinyl)benzonitrile

Systematic Name

English

Benzonitrile, 4-(5-pentyl-2-pyrimidinyl)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID2069367

Created by admin on Tue Apr 01 20:22:51 GMT 2025 , Edited by admin on Tue Apr 01 20:22:51 GMT 2025

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CAS

59855-05-9

Created by admin on Tue Apr 01 20:22:51 GMT 2025 , Edited by admin on Tue Apr 01 20:22:51 GMT 2025

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FDA UNII

R8HL9GKC8U

Created by admin on Tue Apr 01 20:22:51 GMT 2025 , Edited by admin on Tue Apr 01 20:22:51 GMT 2025

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PUBCHEM

108847

Created by admin on Tue Apr 01 20:22:51 GMT 2025 , Edited by admin on Tue Apr 01 20:22:51 GMT 2025

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ECHA (EC/EINECS)

261-959-0

Created by admin on Tue Apr 01 20:22:51 GMT 2025 , Edited by admin on Tue Apr 01 20:22:51 GMT 2025

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