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

Systemtic Name: 8-(hydroxymethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(hydroxymethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(hydroxymethyl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-methylol-xanthine Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CO)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CO)CC3=CC=CC=C3

InChI

InChI=1S/C14H14N4O3/c1-17-12-11(13(20)16-14(17)21)18(10(8-19)15-12)7-9-5-3-2-4-6-9/h2-6,19H,7-8H2,1H3,(H,16,20,21)