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

Systemtic Name: 1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(o-tolyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(o-tolyl)xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H14N4O2/c1-9-6-4-5-7-10(9)18-8-15-12-11(18)13(19)17(3)14(20)16(12)2/h4-8H,1-3H3