2,2,2-Trifluoro-N-[2-[2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl]phenyl]acetamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H27F3N8O2S
Molecular Weight	512.552
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,2-Trifluoro-N-[2-[2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl]phenyl]acetamide

Structure Search

SMILES

FC(F)(F)C(=O)NC1=CC=CC=C1C2=NN(CN3CCNCC3)C(=S)N(CN4CCNCC4)C2=O

InChI

InChIKey=OHPXJIBYAMBDJM-UHFFFAOYSA-N

InChI=1S/C21H27F3N8O2S/c22-21(23,24)19(34)27-16-4-2-1-3-15(16)17-18(33)31(13-29-9-5-25-6-10-29)20(35)32(28-17)14-30-11-7-26-8-12-30/h1-4,25-26H,5-14H2,(H,27,34)

HIDE SMILES / InChI

Molecular Formula	C21H27F3N8O2S
Molecular Weight	512.552
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 `Sat Dec 16 12:55:26 GMT 2023` Edited by `admin` on `Sat Dec 16 12:55:26 GMT 2023`
Record UNII	JJR255JV3M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2,2-Trifluoro-N-[2-[2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl]phenyl]acetamide

Systematic Name

English

NSC-623091

Code

English

ACETAMIDE, 2,2,2-TRIFLUORO-N-(2-(2,3,4,5-TETRAHYDRO-5-OXO-2,4-BIS(1-PIPERAZINYLMETHYL)-3-THIOXO-1,2,4-TRIAZIN-6-YL)PHENYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

360752