Di-tert-butyl ((6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4-yl)amino)-2,2-dimethyl-3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4(3H)-yl)methyl) phosphate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H42FN6O9P
Molecular Weight	692.6721
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Di-tert-butyl ((6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4-yl)amino)-2,2-dimethyl-3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4(3H)-yl)methyl) phosphate

Structure Search

SMILES

COC1=CC(NC2=NC(NC3=CC=C4OC(C)(C)C(=O)N(COP(=O)(OC(C)(C)C)OC(C)(C)C)C4=N3)=C(F)C=N2)=CC(OC)=C1OC

InChI

InChIKey=LNXIKEOPYQNZKM-UHFFFAOYSA-N

InChI=1S/C31H42FN6O9P/c1-29(2,3)46-48(40,47-30(4,5)6)44-17-38-26-20(45-31(7,8)27(38)39)12-13-23(36-26)35-25-19(32)16-33-28(37-25)34-18-14-21(41-9)24(43-11)22(15-18)42-10/h12-16H,17H2,1-11H3,(H2,33,34,35,36,37)

HIDE SMILES / InChI

Molecular Formula	C31H42FN6O9P
Molecular Weight	692.6721
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 `Wed Apr 02 14:32:21 GMT 2025` Edited by `admin` on `Wed Apr 02 14:32:21 GMT 2025`
Record UNII	JNW9F8Q862
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bis(1,1-dimethylethyl) [6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,3-dihydro-2,2-dimethyl-3-oxo-4H-pyrido[3,2-b]-1,4-oxazin-4-yl]methyl phosphate

Preferred Name

English

Di-tert-butyl ((6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4-yl)amino)-2,2-dimethyl-3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4(3H)-yl)methyl) phosphate

Systematic Name

English

Phosphoric acid, bis(1,1-dimethylethyl) [6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,3-dihydro-2,2-dimethyl-3-oxo-4H-pyrido[3,2-b]-1,4-oxazin-4-yl]methyl ester

Systematic Name

English

Code System Code Type Description

CAS

901119-38-8

Created by admin on Wed Apr 02 14:32:21 GMT 2025 , Edited by admin on Wed Apr 02 14:32:21 GMT 2025

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PUBCHEM

49857796

Created by admin on Wed Apr 02 14:32:21 GMT 2025 , Edited by admin on Wed Apr 02 14:32:21 GMT 2025

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FDA UNII

JNW9F8Q862

Created by admin on Wed Apr 02 14:32:21 GMT 2025 , Edited by admin on Wed Apr 02 14:32:21 GMT 2025

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