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

Systemtic Name: 7-[(2-methoxyphenyl)methyl]-3-phenyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-7-[(2-methoxyphenyl)methyl]-3-phenyl-purine-2,6-dione CAS Name: 7-[(2-methoxyphenyl)methyl]-3-phenyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-7-[(2-methoxyphenyl)methyl]-3-phenylpurine-2,6-dione Traditional Name: 1-benzyl-7-o-anisyl-3-phenyl-xanthine Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

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