8-(hydroxymethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(hydroxymethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-methylol-xanthine Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CO)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CO)CC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O3/c1-17-13-12(14(21)18(2)15(17)22)19(11(9-20)16-13)8-10-6-4-3-5-7-10/h3-7,20H,8-9H2,1-2H3