N-[9-[2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-1-oxidanyl-4-oxidanylidene-azetidin-3-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-1-oxidanyl-4-oxidanylidene-azetidin-3-yl]purin-6-yl]benzamide Openeye Name: N-[9-[2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-1-hydroxy-4-oxo-azetidin-3-yl]purin-6-yl]benzamide CAS Name: N-[9-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-hydroxy-4-oxo-3-azetidinyl]-6-purinyl]benzamide IUPAC Name: N-[9-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-hydroxy-4-oxoazetidin-3-yl]purin-6-yl]benzamide Traditional Name: N-[9-[2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-1-hydroxy-4-keto-azetidin-3-yl]purin-6-yl]benzamide Formula: C37H32N6O6 MolecularWeight: 656.68658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(=O)N4O)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(=O)N4O)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7

InChI

InChI=1S/C37H32N6O6/c1-47-28-17-13-26(14-18-28)37(25-11-7-4-8-12-25,27-15-19-29(48-2)20-16-27)49-21-30-32(36(45)43(30)46)42-23-40-31-33(38-22-39-34(31)42)41-35(44)24-9-5-3-6-10-24/h3-20,22-23,30,32,46H,21H2,1-2H3,(H,38,39,41,44)