DIOX2_012580
Molecular Formula:
C34H40N4O4S
InChI: InChI=1/C34H40N4O4S/c39-20-23-4-6-27(7-5-23)30-15-29(21-43-33-35-10-1-11-36-33)41-31(42-30)28-8-2-22(3-9-28)19-37-32(40)38-34-16-24-12-25(17-34)14-26(13-24)18-34/h1-11,24-26,29-31,39H,12-21H2,(H2,37,38,40)/t24?,25?,26?,29-,30+,31+,34?/m0/s1/f/h37-38H
InChIKey: InChIKey=FVXBIIQAIVFXEG-OINMQXBYDW
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC=C(C=C4)C5OC(CC(O5)C6=CC=C(C=C6)CO)CSC7=NC=CC=N7
Names:
DIOX2_012580
1-(1-adamantyl)-3-[[4-[(2R,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]urea
Registries:
PubChem CID 6694045
PubChem ID 11319579
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