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

Systemtic Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-phenoxy-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(o-tolylmethyl)-8-phenoxy-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-phenoxypurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-phenoxypurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylbenzyl)-8-phenoxy-xanthine Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c1-14-9-7-8-10-15(14)13-25-17-18(23(2)21(27)24(3)19(17)26)22-20(25)28-16-11-5-4-6-12-16/h4-12H,13H2,1-3H3