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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21FN6O8S
Molecular Weight 536.4922
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-

SMILES

CC1(C)C(=Nc2c(ccc(=Nc3c(cnc(Nc4cc(c(c(c4)OC)OS(=O)(=O)O)OC)n3)F)[nH]2)O1)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 536.4922
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 Fri Jun 25 22:23:23 UTC 2021
Edited
by admin
on Fri Jun 25 22:23:23 UTC 2021
Record UNII
T441NJ0BM5
Record Status Validated (UNII)
Record Version
  • Download
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 Fri Jun 25 22:23:23 UTC 2021 , Edited by admin on Fri Jun 25 22:23:23 UTC 2021
PRIMARY
CAS
1293999-48-0
Created by admin on Fri Jun 25 22:23:23 UTC 2021 , Edited by admin on Fri Jun 25 22:23:23 UTC 2021
PRIMARY
FDA UNII
T441NJ0BM5
Created by admin on Fri Jun 25 22:23:23 UTC 2021 , Edited by admin on Fri Jun 25 22:23:23 UTC 2021
PRIMARY
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