8-(4-methoxyphenyl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-methoxyphenyl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-8-(4-methoxyphenyl)purine-2,6-dione CAS Name: 8-(4-methoxyphenyl)-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-8-(4-methoxyphenyl)purine-2,6-dione Traditional Name: 3,7-dibenzyl-8-(4-methoxyphenyl)xanthine Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3/c1-33-21-14-12-20(13-15-21)23-27-24-22(29(23)16-18-8-4-2-5-9-18)25(31)28-26(32)30(24)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,28,31,32)