3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-phenylprop-2-enenitrile,hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H20N6.ClH
Molecular Weight	380.874
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-phenylprop-2-enenitrile,hydrochloride

Structure Search

SMILES

Cl.CC1(C)N=C(N)N=C(N)N1C2=CC=CC(C=C(C#N)C3=CC=CC=C3)=C2

InChI

InChIKey=WJJZHNVOILYLQY-YFMOEUEHSA-N

InChI=1S/C20H20N6.ClH/c1-20(2)25-18(22)24-19(23)26(20)17-10-6-7-14(12-17)11-16(13-21)15-8-4-3-5-9-15;/h3-12H,1-2H3,(H4,22,23,24,25);1H/b16-11+;

HIDE SMILES / InChI

Molecular Formula	C20H20N6
Molecular Weight	344.413
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 20:03:46 GMT 2025` Edited by `admin` on `Tue Apr 01 20:03:46 GMT 2025`
Record UNII	9T3CC7EKA8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-211558

Preferred Name

English

3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-phenylprop-2-enenitrile,hydrochloride

Systematic Name

English

Acrylonitrile, 3-[m-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]-2-phenyl-, monohydrochloride

Systematic Name

English

Benzeneacetonitrile, ?-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methylene]-, hydrochloride (1:1)

Systematic Name

English

Code System Code Type Description

NSC

211558

Created by admin on Tue Apr 01 20:03:46 GMT 2025 , Edited by admin on Tue Apr 01 20:03:46 GMT 2025

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FDA UNII

9T3CC7EKA8

Created by admin on Tue Apr 01 20:03:46 GMT 2025 , Edited by admin on Tue Apr 01 20:03:46 GMT 2025

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CAS

19160-02-2

Created by admin on Tue Apr 01 20:03:46 GMT 2025 , Edited by admin on Tue Apr 01 20:03:46 GMT 2025

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PUBCHEM

24196170

Created by admin on Tue Apr 01 20:03:46 GMT 2025 , Edited by admin on Tue Apr 01 20:03:46 GMT 2025

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