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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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