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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

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