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

Systemtic Name: 7-butyl-1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]-3-benzyl-7-butyl-purine-2,6-dione CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-7-butyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-benzyl-7-butylpurine-2,6-dione Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-3-benzyl-7-butyl-xanthine Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(C=CC(=C4)C(=O)C)OC

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(C=CC(=C4)C(=O)C)OC

InChI

InChI=1S/C26H28N4O4/c1-4-5-13-28-17-27-24-23(28)25(32)30(26(33)29(24)15-19-9-7-6-8-10-19)16-21-14-20(18(2)31)11-12-22(21)34-3/h6-12,14,17H,4-5,13,15-16H2,1-3H3