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

Systemtic Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylbenzyl)-8-(3-methylphenoxy)xanthine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC3=C(N2CC4=CC=CC=C4C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC3=C(N2CC4=CC=CC=C4C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H22N4O3/c1-14-8-7-11-17(12-14)29-21-23-19-18(20(27)25(4)22(28)24(19)3)26(21)13-16-10-6-5-9-15(16)2/h5-12H,13H2,1-4H3