M-((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)CARBAMOYL)BENZENESULFONYL FLUORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H20ClFN6O4S
Molecular Weight	494.927
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of M-((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)CARBAMOYL)BENZENESULFONYL FLUORIDE

Structure Search

SMILES

NC1=NC(N)=C(CCCOC2=CC=C(NC(=O)C3=CC(=CC=C3)S(F)(=O)=O)C=C2Cl)C(N)=N1

InChI

InChIKey=SBPDBWUDZCWVTG-UHFFFAOYSA-N

InChI=1S/C20H20ClFN6O4S/c21-15-10-12(26-19(29)11-3-1-4-13(9-11)33(22,30)31)6-7-16(15)32-8-2-5-14-17(23)27-20(25)28-18(14)24/h1,3-4,6-7,9-10H,2,5,8H2,(H,26,29)(H6,23,24,25,27,28)

HIDE SMILES / InChI

Molecular Formula	C20H20ClFN6O4S
Molecular Weight	494.927
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 16:26:33 GMT 2025` Edited by `admin` on `Tue Apr 01 16:26:33 GMT 2025`
Record UNII	47MKM795OC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)AMINO)CARBONYL)BENZENESULFONYL FLUORIDE

Preferred Name

English

M-((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)CARBAMOYL)BENZENESULFONYL FLUORIDE

Systematic Name

English

BENZENESULFONYL FLUORIDE, 3-(((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)AMINO)CARBONYL)-

Systematic Name

English

BENZENESULFONYL FLUORIDE, M-((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)CARBAMOYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

47MKM795OC

Created by admin on Tue Apr 01 16:26:33 GMT 2025 , Edited by admin on Tue Apr 01 16:26:33 GMT 2025

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CAS

20064-47-5

Created by admin on Tue Apr 01 16:26:33 GMT 2025 , Edited by admin on Tue Apr 01 16:26:33 GMT 2025

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PUBCHEM

271383

Created by admin on Tue Apr 01 16:26:33 GMT 2025 , Edited by admin on Tue Apr 01 16:26:33 GMT 2025

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Related Record Type Details


					LR77ZH25N0

M-((3-CHLORO-4-(3-(2,4,6-TRIAMINO-5-PYRIMIDINYL)PROPOXY)PHENYL)CARBAMOYL)BENZENESULFONYL FLUORIDE MONOETHANESULFONATE

SALT/SOLVATE -> PARENT