N-[9-[(2R,3R,4S)-3-(hydroxymethyl)-4-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]oxetan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,3R,4S)-3-(hydroxymethyl)-4-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]oxetan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,3R,4S)-3-(hydroxymethyl)-4-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]oxetan-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,3R,4S)-3-(hydroxymethyl)-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-oxetanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,3R,4S)-3-(hydroxymethyl)-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxetan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,3R,4S)-4-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3-methylol-oxetan-2-yl]purin-6-yl]benzamide Formula: C37H33N5O5 MolecularWeight: 627.68842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)CO

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)CO

InChI

InChI=1S/C37H33N5O5/c1-45-29-19-17-28(18-20-29)37(26-13-7-3-8-14-26,27-15-9-4-10-16-27)46-22-31-30(21-43)36(47-31)42-24-40-32-33(38-23-39-34(32)42)41-35(44)25-11-5-2-6-12-25/h2-20,23-24,30-31,36,43H,21-22H2,1H3,(H,38,39,41,44)/t30-,31-,36-/m1/s1