3-butyl-8-(4-methoxy-3-phenylmethoxy-phenyl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(4-methoxy-3-phenylmethoxy-phenyl)-7-methyl-purine-2,6-dione Openeye Name: 8-(3-benzyloxy-4-methoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-(4-methoxy-3-phenylmethoxyphenyl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(4-methoxy-3-phenylmethoxyphenyl)-7-methylpurine-2,6-dione Traditional Name: 8-(3-benzoxy-4-methoxy-phenyl)-3-butyl-7-methyl-xanthine Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O4/c1-4-5-13-28-22-20(23(29)26-24(28)30)27(2)21(25-22)17-11-12-18(31-3)19(14-17)32-15-16-9-7-6-8-10-16/h6-12,14H,4-5,13,15H2,1-3H3,(H,26,29,30)