2H-PYRIDO(3,2-B)-1,4-OXAZIN-3(4H)-ONE, 6-((2-((3,5-DIMETHOXY-4-(SULFOOXY)PHENYL)AMINO)-5-FLUORO-4-PYRIMIDINYL)AMINO)-2,2-DIMETHYL-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21FN6O8S
Molecular Weight	536.49
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2H-PYRIDO(3,2-B)-1,4-OXAZIN-3(4H)-ONE, 6-((2-((3,5-DIMETHOXY-4-(SULFOOXY)PHENYL)AMINO)-5-FLUORO-4-PYRIMIDINYL)AMINO)-2,2-DIMETHYL-

Structure Search

SMILES

COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1OS(O)(=O)=O

InChI

InChIKey=ZXZMCWWGCHBLBI-UHFFFAOYSA-N

InChI=1S/C21H21FN6O8S/c1-21(2)19(29)27-18-12(35-21)5-6-15(26-18)25-17-11(22)9-23-20(28-17)24-10-7-13(33-3)16(14(8-10)34-4)36-37(30,31)32/h5-9H,1-4H3,(H,30,31,32)(H3,23,24,25,26,27,28,29)

HIDE SMILES / InChI

Molecular Formula	C21H21FN6O8S
Molecular Weight	536.49
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 16:08:58 GMT 2023` Edited by `admin` on `Sat Dec 16 16:08:58 GMT 2023`
Record UNII	T441NJ0BM5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2H-PYRIDO(3,2-B)-1,4-OXAZIN-3(4H)-ONE, 6-((2-((3,5-DIMETHOXY-4-(SULFOOXY)PHENYL)AMINO)-5-FLUORO-4-PYRIMIDINYL)AMINO)-2,2-DIMETHYL-

Systematic Name

English

6-((2-((3,5-DIMETHOXY-4-(SULFOOXY)PHENYL)AMINO)-5-FLUORO-4-PYRIMIDINYL)AMINO)-2,2-DIMETHYL-2H-PYRIDO(3,2-B)-1,4-OXAZIN-3(4H)-ONE

Systematic Name

English

O-SULFO R-529

Code

English

M537

Common Name

English

Code System Code Type Description

PUBCHEM

146675115

Created by admin on Sat Dec 16 16:08:59 GMT 2023 , Edited by admin on Sat Dec 16 16:08:59 GMT 2023

PRIMARY

CAS

1293999-48-0

Created by admin on Sat Dec 16 16:08:59 GMT 2023 , Edited by admin on Sat Dec 16 16:08:59 GMT 2023

PRIMARY

FDA UNII

T441NJ0BM5

Created by admin on Sat Dec 16 16:08:59 GMT 2023 , Edited by admin on Sat Dec 16 16:08:59 GMT 2023

PRIMARY

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