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

Systemtic Name: 8-(hydroxymethyl)-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(hydroxymethyl)-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(hydroxymethyl)-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 3-methyl-8-methylol-7-phenethyl-xanthine Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O3/c1-18-13-12(14(21)17-15(18)22)19(11(9-20)16-13)8-7-10-5-3-2-4-6-10/h2-6,20H,7-9H2,1H3,(H,17,21,22)