9-pyridin-4-ylcarbonyl-3H-purine-2,6-dione

Systemtic Name: 9-pyridin-4-ylcarbonyl-3H-purine-2,6-dione Openeye Name: 9-(pyridine-4-carbonyl)-3H-purine-2,6-dione CAS Name: 9-[oxo(pyridin-4-yl)methyl]-3H-purine-2,6-dione IUPAC Name: 9-(pyridine-4-carbonyl)-3H-purine-2,6-dione Traditional Name: 9-isonicotinoylxanthine Formula: C11H7N5O3 MolecularWeight: 257.20498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)N2C=NC3=C2NC(=O)NC3=O

Isomeric SMILES

C1=CN=CC=C1C(=O)N2C=NC3=C2NC(=O)NC3=O

InChI

InChI=1S/C11H7N5O3/c17-9-7-8(14-11(19)15-9)16(5-13-7)10(18)6-1-3-12-4-2-6/h1-5H,(H2,14,15,17,19)