3-butyl-8-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-8-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 3-butyl-8-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 3-butyl-8-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-8-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 3-butyl-8-(4-methoxyphenyl)-7-o-anisyl-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)CC4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4OC

InChI

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