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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2OC4=CC=CC=C4C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2OC4=CC=CC=C4C)N(C(=O)N(C3=O)C)C

InChI

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