3,7-dimethyl-1-(phenylmethyl)-8-(4-phenylphenoxy)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-(4-phenylphenoxy)purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-(4-phenylphenoxy)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-(4-phenylphenoxy)xanthine Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C26H22N4O3/c1-28-22-23(29(2)26(32)30(24(22)31)17-18-9-5-3-6-10-18)27-25(28)33-21-15-13-20(14-16-21)19-11-7-4-8-12-19/h3-16H,17H2,1-2H3