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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC3=CC=CC=C3

InChI

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