3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 1-benzyl-3-(2-methoxyphenyl)-7-o-anisyl-xanthine Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4OC)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4OC)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4/c1-34-22-14-8-6-12-20(22)17-29-18-28-25-24(29)26(32)30(16-19-10-4-3-5-11-19)27(33)31(25)21-13-7-9-15-23(21)35-2/h3-15,18H,16-17H2,1-2H3