3-butyl-1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]-3-butyl-8-(hydroxymethyl)-7-propyl-purine-2,6-dione CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-butyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-butyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-3-butyl-8-methylol-7-propyl-xanthine Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(C=CC(=C3)C(=O)C)OC)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(C=CC(=C3)C(=O)C)OC)N(C(=N2)CO)CCC

InChI

InChI=1S/C23H30N4O5/c1-5-7-11-26-21-20(25(10-6-2)19(14-28)24-21)22(30)27(23(26)31)13-17-12-16(15(3)29)8-9-18(17)32-4/h8-9,12,28H,5-7,10-11,13-14H2,1-4H3