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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

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