3-[[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H21FN6O4S
Molecular Weight	448.471
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-[[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride

Structure Search

SMILES

CC1(C)N=C(N)N=C(N)N1C2=CC=C(OCC(=O)NC3=CC(=CC=C3)S(F)(=O)=O)C=C2

InChI

InChIKey=OMSHIIAGTDRPGZ-UHFFFAOYSA-N

InChI=1S/C19H21FN6O4S/c1-19(2)25-17(21)24-18(22)26(19)13-6-8-14(9-7-13)30-11-16(27)23-12-4-3-5-15(10-12)31(20,28)29/h3-10H,11H2,1-2H3,(H,23,27)(H4,21,22,24,25)

HIDE SMILES / InChI

Molecular Formula	C19H21FN6O4S
Molecular Weight	448.471
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 19:40:28 GMT 2025` Edited by `admin` on `Tue Apr 01 19:40:28 GMT 2025`
Record UNII	CW36HS7LGY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-118213

Preferred Name

English

3-[[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride

Systematic Name

English

Benzenesulfonyl fluoride, 3-[[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]-

Systematic Name

English

Benzenesulfonyl fluoride, 3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]-

Systematic Name

English

3-[[2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40170397