8-(dimethylamino)-3-methyl-7-phenethyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CCC3=CC=CC=C3

InChI

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