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

Systemtic Name: 8-(3-methoxyphenoxy)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3-methoxyphenoxy)-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-methoxyphenoxy)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-methoxyphenoxy)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-methoxyphenoxy)-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2OC4=CC(=CC=C4)OC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2OC4=CC(=CC=C4)OC)N(C(=O)N(C3=O)C)C

InChI

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