1,3-dimethyl-8-(methylamino)-7-phenethyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(methylamino)-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(methylamino)-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(methylamino)-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(methylamino)-7-phenethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(methylamino)-7-phenethyl-xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H19N5O2/c1-17-15-18-13-12(14(22)20(3)16(23)19(13)2)21(15)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,18)