3-methyl-1-[(4-methylphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-1-[(4-methylphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-1-[(4-methylphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-1-(4-methylbenzyl)xanthine Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)C

InChI

InChI=1S/C21H20N4O2/c1-15-8-10-17(11-9-15)13-25-20(26)18-19(23(2)21(25)27)22-14-24(18)12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3