8-(3-methoxyphenyl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-methoxyphenyl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(3-methoxyphenyl)-7-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 8-(3-methoxyphenyl)-7-(2-oxolanylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-methoxyphenyl)-7-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(3-methoxyphenyl)-7-(tetrahydrofurfuryl)xanthine Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(N2CC4CCCO4)C(=O)NC(=O)N3CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(N2CC4CCCO4)C(=O)NC(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C24H24N4O4/c1-31-18-10-5-9-17(13-18)21-25-22-20(27(21)15-19-11-6-12-32-19)23(29)26-24(30)28(22)14-16-7-3-2-4-8-16/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3,(H,26,29,30)