1,3-dimethyl-7-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-pyridin-4-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(4-pyridyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-pyridin-4-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-pyridin-4-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-pyridyl)xanthine Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=NC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=NC=C3

InChI

InChI=1S/C12H11N5O2/c1-15-10-9(11(18)16(2)12(15)19)17(7-14-10)8-3-5-13-6-4-8/h3-7H,1-2H3