1,3-dimethyl-7-(pyridin-3-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(3-pyridylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-pyridylmethyl)xanthine Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CN=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CN=CC=C3

InChI

InChI=1S/C13H13N5O2/c1-16-11-10(12(19)17(2)13(16)20)18(8-15-11)7-9-4-3-5-14-6-9/h3-6,8H,7H2,1-2H3