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

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

Systemtic Name:9-pyridin-3-ylcarbonyl-3H-purine-2,6-dione
Openeye Name:9-(pyridine-3-carbonyl)-3H-purine-2,6-dione
CAS Name:9-[oxo(3-pyridinyl)methyl]-3H-purine-2,6-dione
IUPAC Name:9-(pyridine-3-carbonyl)-3H-purine-2,6-dione
Traditional Name:9-nicotinoylxanthine
Formula: C11H7N5O3
MolecularWeight: 257.20498
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

C1=CC(=CN=C1)C(=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)6-2-1-3-12-4-6/h1-5H,(H2,14,15,17,19)


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