1,8-dimethyl-3-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-dione

Systemtic Name: 1,8-dimethyl-3-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-dione Openeye Name: 1,8-dimethyl-3-[2-(p-tolyl)ethyl]-7H-purine-2,6-dione CAS Name: 1,8-dimethyl-3-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-dione IUPAC Name: 1,8-dimethyl-3-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-dione Traditional Name: 1,8-dimethyl-3-[2-(p-tolyl)ethyl]-7H-purine-2,6-quinone Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCN2C3=C(C(=O)N(C2=O)C)NC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)CCN2C3=C(C(=O)N(C2=O)C)NC(=N3)C

InChI

InChI=1S/C16H18N4O2/c1-10-4-6-12(7-5-10)8-9-20-14-13(17-11(2)18-14)15(21)19(3)16(20)22/h4-7H,8-9H2,1-3H3,(H,17,18)