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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

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

Approval Year

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
PRIMARY
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
PRIMARY
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
PRIMARY