7-(2-methoxyethyl)-1-(naphthalen-1-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-(naphthalen-1-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-(1-naphthylmethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-(1-naphthalenylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-1-(1-naphthylmethyl)xanthine Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H24N4O3/c1-33-15-14-28-18-27-24-23(28)25(31)30(26(32)29(24)16-19-8-3-2-4-9-19)17-21-12-7-11-20-10-5-6-13-22(20)21/h2-13,18H,14-17H2,1H3