1-methyl-8-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 1-methyl-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 1-methyl-8-(4-pyridyl)purine-2,6-dione CAS Name: 1-methyl-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 1-methyl-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 1-methyl-8-(4-pyridyl)xanthine Formula: C11H7N5O2 MolecularWeight: 241.20558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=NC1=O)C3=CC=NC=C3

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=NC1=O)C3=CC=NC=C3

InChI

InChI=1S/C11H7N5O2/c1-16-10(17)7-9(15-11(16)18)14-8(13-7)6-2-4-12-5-3-6/h2-5H,1H3