1,3-bis[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-bis[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-bis[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 1,3-bis[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-bis[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-bis(p-anisyl)xanthine Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)N(C=N3)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)N(C=N3)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O4/c1-35-23-12-8-21(9-13-23)17-31-26-25(30(19-29-26)16-20-6-4-3-5-7-20)27(33)32(28(31)34)18-22-10-14-24(36-2)15-11-22/h3-15,19H,16-18H2,1-2H3