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

Systemtic Name: 3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(o-tolylmethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(2-methylbenzyl)xanthine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C15H16N4O2/c1-10-6-4-5-7-11(10)8-19-14(20)12-13(16-9-17(12)2)18(3)15(19)21/h4-7,9H,8H2,1-3H3