7-ethoxy-1-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethoxy-1-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethoxy-1-methyl-purine-2,6-dione CAS Name: 7-ethoxy-1-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethoxy-1-methylpurine-2,6-dione Traditional Name: 3-benzyl-7-ethoxy-1-methyl-xanthine Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CCON1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C

Isomeric SMILES

CCON1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C

InChI

InChI=1S/C15H16N4O3/c1-3-22-19-10-16-13-12(19)14(20)17(2)15(21)18(13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3