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

Systemtic Name: 7-(2-methoxyethyl)-8-(3-phenoxyphenyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-8-(3-phenoxyphenyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(3-phenoxyphenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-8-(3-phenoxyphenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-8-(3-phenoxyphenyl)xanthine Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(N=C1C3=CC(=CC=C3)OC4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

COCCN1C2=C(N=C1C3=CC(=CC=C3)OC4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4/c1-34-16-15-30-23-25(31(27(33)29-26(23)32)18-19-9-4-2-5-10-19)28-24(30)20-11-8-14-22(17-20)35-21-12-6-3-7-13-21/h2-14,17H,15-16,18H2,1H3,(H,29,32,33)