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

Systemtic Name: 1,3-dimethyl-7-[(2-methylphenyl)-phenyl-methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[o-tolyl(phenyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-methylphenyl)-phenylmethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-methylphenyl)-phenylmethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[o-tolyl(phenyl)methyl]xanthine Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H20N4O2/c1-14-9-7-8-12-16(14)17(15-10-5-4-6-11-15)25-13-22-19-18(25)20(26)24(3)21(27)23(19)2/h4-13,17H,1-3H3