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

Systemtic Name: 3,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 3,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 3,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 3,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 3,7-bis(p-anisyl)xanthine Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3CC4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3CC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H20N4O4/c1-28-16-7-3-14(4-8-16)11-24-13-22-19-18(24)20(26)23-21(27)25(19)12-15-5-9-17(29-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,23,26,27)