7-(2-hydroxyethyl)-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3/c1-19(10-11-6-4-3-5-7-11)15-17-13-12(21(15)8-9-22)14(23)18-16(24)20(13)2/h3-7,22H,8-10H2,1-2H3,(H,18,23,24)