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

Systemtic Name: 8-(hydroxymethyl)-3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-(hydroxymethyl)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-(hydroxymethyl)-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 3-methyl-8-methylol-7-phenacyl-xanthine Formula: C15H14N4O4 MolecularWeight: 314.29606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4/c1-18-13-12(14(22)17-15(18)23)19(11(8-20)16-13)7-10(21)9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3,(H,17,22,23)