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

Systemtic Name: 7-(2-methoxyethyl)-8-naphthalen-2-yl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-8-(2-naphthyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(2-naphthalenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-8-naphthalen-2-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-8-(2-naphthyl)xanthine Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(N=C1C3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

COCCN1C2=C(N=C1C3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3/c1-32-14-13-28-21-23(26-22(28)20-12-11-18-9-5-6-10-19(18)15-20)29(25(31)27-24(21)30)16-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,27,30,31)