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

Systemtic Name: 7-(ethoxymethyl)-8-methyl-3-phenyl-1-[2-(phenylsulfonylmethyl)phenyl]purine-2,6-dione Openeye Name: 1-[2-(benzenesulfonylmethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenyl-purine-2,6-dione CAS Name: 1-[2-(benzenesulfonylmethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenylpurine-2,6-dione IUPAC Name: 1-[2-(benzenesulfonylmethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenylpurine-2,6-dione Traditional Name: 1-[2-(besylmethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenyl-xanthine Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4CS(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4CS(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H26N4O5S/c1-3-37-19-30-20(2)29-26-25(30)27(33)32(28(34)31(26)22-13-6-4-7-14-22)24-17-11-10-12-21(24)18-38(35,36)23-15-8-5-9-16-23/h4-17H,3,18-19H2,1-2H3