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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CO

Isomeric SMILES

CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CO

InChI

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