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

Systemtic Name: 3-(pyridin-3-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-(3-pyridylmethyl)-7H-purine-2,6-dione CAS Name: 3-(3-pyridinylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-(pyridin-3-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-(3-pyridylmethyl)-7H-purine-2,6-quinone Formula: C11H9N5O2 MolecularWeight: 243.22146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C3=C(C(=O)NC2=O)NC=N3

Isomeric SMILES

C1=CC(=CN=C1)CN2C3=C(C(=O)NC2=O)NC=N3

InChI

InChI=1S/C11H9N5O2/c17-10-8-9(14-6-13-8)16(11(18)15-10)5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H,13,14)(H,15,17,18)