7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-methylphenoxy)purine-2,6-dione

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-methylphenoxy)purine-2,6-dione Openeye Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-methylphenoxy)purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-methylphenoxy)purine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-methylphenoxy)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylphenoxy)-7-p-anisyl-xanthine Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H22N4O4/c1-14-5-9-17(10-6-14)30-21-23-19-18(20(27)25(3)22(28)24(19)2)26(21)13-15-7-11-16(29-4)12-8-15/h5-12H,13H2,1-4H3