7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione

Systemtic Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 7-m-anisyl-1,3-dimethyl-8-[(4-methylbenzyl)amino]xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC(=CC=C4)OC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC(=CC=C4)OC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H25N5O3/c1-15-8-10-16(11-9-15)13-24-22-25-20-19(21(29)27(3)23(30)26(20)2)28(22)14-17-6-5-7-18(12-17)31-4/h5-12H,13-14H2,1-4H3,(H,24,25)