8-(3-methoxy-4-phenylmethoxy-phenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-methoxy-4-phenylmethoxy-phenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-benzyloxy-3-methoxy-phenyl)-7-methyl-purine-2,6-dione CAS Name: 8-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-methoxy-4-phenylmethoxyphenyl)-7-methylpurine-2,6-dione Traditional Name: 8-(4-benzoxy-3-methoxy-phenyl)-3-benzyl-7-methyl-xanthine Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(N=C1C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4/c1-30-23-25(31(27(33)29-26(23)32)16-18-9-5-3-6-10-18)28-24(30)20-13-14-21(22(15-20)34-2)35-17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3,(H,29,32,33)