7-(2-methoxyethyl)-3-(phenylmethyl)-8-(4-phenylphenyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(phenylmethyl)-8-(4-phenylphenyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-8-(4-phenylphenyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(phenylmethyl)-8-(4-phenylphenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-8-(4-phenylphenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-8-(4-phenylphenyl)xanthine Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(N=C1C3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

COCCN1C2=C(N=C1C3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-34-17-16-30-23-25(31(27(33)29-26(23)32)18-19-8-4-2-5-9-19)28-24(30)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15H,16-18H2,1H3,(H,29,32,33)