1,3-dimethyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-phenethyl-xanthine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O2/c1-17-13-12(14(20)18(2)15(17)21)19(10-16-13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3