3-butyl-1-[3-(2,5-dimethylphenoxy)propyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-[3-(2,5-dimethylphenoxy)propyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-[3-(2,5-dimethylphenoxy)propyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-[3-(2,5-dimethylphenoxy)propyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-[3-(2,5-dimethylphenoxy)propyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-[3-(2,5-dimethylphenoxy)propyl]-8-methylol-7-propyl-xanthine Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCOC3=C(C=CC(=C3)C)C)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCOC3=C(C=CC(=C3)C)C)N(C(=N2)CO)CCC

InChI

InChI=1S/C24H34N4O4/c1-5-7-12-27-22-21(26(11-6-2)20(16-29)25-22)23(30)28(24(27)31)13-8-14-32-19-15-17(3)9-10-18(19)4/h9-10,15,29H,5-8,11-14,16H2,1-4H3