tert-Butyl 2-((4R,6S)-6-((Z)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H40FN3O6S
Molecular Weight	577.708
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl 2-((4R,6S)-6-((Z)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Structure Search

SMILES

CC(C)C1=C(\C=C/[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)C(=NC(=N1)N(C)S(C)(=O)=O)C3=CC=C(F)C=C3

InChI

InChIKey=WIFPCEOJTKZGSA-IEHPJGJUSA-N

InChI=1S/C29H40FN3O6S/c1-18(2)25-23(15-14-21-16-22(38-29(6,7)37-21)17-24(34)39-28(3,4)5)26(19-10-12-20(30)13-11-19)32-27(31-25)33(8)40(9,35)36/h10-15,18,21-22H,16-17H2,1-9H3/b15-14-/t21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H40FN3O6S
Molecular Weight	577.708
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:16:27 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:27 GMT 2025`
Record UNII	8CNF5E6PXX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl (4R,6S)-6-[(1Z)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Preferred Name

English

tert-Butyl 2-((4R,6S)-6-((Z)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Systematic Name

English

1,3-Dioxane-4-acetic acid, 6-[(1Z)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

98047512

Created by admin on Wed Apr 02 19:16:27 GMT 2025 , Edited by admin on Wed Apr 02 19:16:27 GMT 2025

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CAS

1821422-50-7

Created by admin on Wed Apr 02 19:16:27 GMT 2025 , Edited by admin on Wed Apr 02 19:16:27 GMT 2025

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FDA UNII

8CNF5E6PXX

Created by admin on Wed Apr 02 19:16:27 GMT 2025 , Edited by admin on Wed Apr 02 19:16:27 GMT 2025

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