1-[3,4-bis(phenylmethoxy)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenyl-purine-2,6-dione

Systemtic Name: 1-[3,4-bis(phenylmethoxy)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenyl-purine-2,6-dione Openeye Name: 1-(3,4-dibenzyloxyphenyl)-7-(ethoxymethyl)-8-methyl-3-phenyl-purine-2,6-dione CAS Name: 1-[3,4-bis(phenylmethoxy)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenylpurine-2,6-dione IUPAC Name: 1-[3,4-bis(phenylmethoxy)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenylpurine-2,6-dione Traditional Name: 1-(3,4-dibenzoxyphenyl)-7-(ethoxymethyl)-8-methyl-3-phenyl-xanthine Formula: C35H32N4O5 MolecularWeight: 588.65238

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C

Isomeric SMILES

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C

InChI

InChI=1S/C35H32N4O5/c1-3-42-24-37-25(2)36-33-32(37)34(40)39(35(41)38(33)28-17-11-6-12-18-28)29-19-20-30(43-22-26-13-7-4-8-14-26)31(21-29)44-23-27-15-9-5-10-16-27/h4-21H,3,22-24H2,1-2H3