DIOX2_006858

Molecular Formula: C37H35N3O4S


InChI: InChI=1/C37H35N3O4S/c1-25-33(24-45-37-38-20-7-21-39-37)43-36(44-34(25)28-14-12-26(23-41)13-15-28)30-18-16-27(17-19-30)32-11-6-5-10-31(32)22-40-35(42)29-8-3-2-4-9-29/h2-21,25,33-34,36,41H,22-24H2,1H3,(H,40,42)/t25-,33+,34+,36+/m1/s1/f/h40H

InChIKey: InChIKey=GQMPWDOOJJNMGI-GVOPWCPGDO
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C5=CC=CC=C5)CSC6=NC=CC=N6

Names:
    DIOX2_006858
    N-[[2-[4-[(2S,4S,5S,6S)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide

Registries:
    PubChem CID 6688372
    PubChem ID 11313857