tert-butyl(6-{2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl}(4S,6S)-2,2-dimethyl[1,3]dioxan-4-yl)acetate

Reference substances

IUPAC name:

tert-butyl 2-[(4R,6S)-6-{2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Inventory

EC number:

432-810-9

EC name:

-

CAS number:

-

Description:

BEM 4522

CAS number:

1379976-09-6

Synonyms

Names:

BEM

ZD4522 BEM

Identifier:

other: Molecular formula

C29H40FN3O6S

Identifier:

other: SMILES notation

CC(C)C1=NC(N(C)S(=O)(C)=O)=NC(C2=CC=C(F)C=C2)=C1/C=C/[C@@H]3C[C@@H](OC(C)(C)O3)CC(OC(C)(C)C)=O

Identifier:

other: InChl

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

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

Molecular and structural information

Molecular formula:

Hill formula: C29 H40 F N3 O6 S

Molecular weight:

577.7

SMILES notation:

-

InChl:

-

Structural formula: