1,3,7-trimethyl-8-phenethyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-phenethyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-phenethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-phenethylpurine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-phenethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-phenethyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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