4-oxidanylidene-6-piperazin-4-ium-1-ylcarbonyl-1H-pyrimidin-2-olate

Systemtic Name: 4-oxidanylidene-6-piperazin-4-ium-1-ylcarbonyl-1H-pyrimidin-2-olate Openeye Name: 4-oxo-6-(piperazin-4-ium-1-carbonyl)-1H-pyrimidin-2-olate CAS Name: 4-oxo-6-[oxo(1-piperazin-4-iumyl)methyl]-1H-pyrimidin-2-olate IUPAC Name: 4-oxo-6-(piperazin-4-ium-1-carbonyl)-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-(piperazin-4-ium-1-carbonyl)-1H-pyrimidin-2-olate Formula: C9H12N4O3 MolecularWeight: 224.21658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC(=O)N=C(N2)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC(=O)N=C(N2)[O-]

InChI

InChI=1S/C9H12N4O3/c14-7-5-6(11-9(16)12-7)8(15)13-3-1-10-2-4-13/h5,10H,1-4H2,(H2,11,12,14,16)