1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]-3,7-dibenzyl-purine-2,6-dione CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,7-dibenzylpurine-2,6-dione Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-3,7-dibenzyl-xanthine Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O4/c1-20(34)23-13-14-25(37-2)24(15-23)18-33-28(35)26-27(30-19-31(26)16-21-9-5-3-6-10-21)32(29(33)36)17-22-11-7-4-8-12-22/h3-15,19H,16-18H2,1-2H3