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

Systemtic Name: 1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]-3-benzyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-benzyl-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-3-benzyl-7-(2-methoxyethyl)xanthine Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O5/c1-17(30)19-9-10-21(34-3)20(13-19)15-29-24(31)22-23(26-16-27(22)11-12-33-2)28(25(29)32)14-18-7-5-4-6-8-18/h4-10,13,16H,11-12,14-15H2,1-3H3