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3-propylpurin-3-ium-2,6-dione

3-propylpurin-3-ium-2,6-dione

Systemtic Name:3-propylpurin-3-ium-2,6-dione
Openeye Name:3-propylpurin-3-ium-2,6-dione
CAS Name:3-propylpurin-3-ium-2,6-dione
IUPAC Name:3-propylpurin-3-ium-2,6-dione
Traditional Name:3-propylpurin-3-ium-2,6-quinone
Formula: C8H9N4O2+
MolecularWeight: 193.18266
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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C2C(=NC=N2)C(=O)NC1=O


Isomeric SMILES

CCC[N+]1=C2C(=NC=N2)C(=O)NC1=O


InChI

InChI=1S/C8H8N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3/p+1


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