6-(1,4-diazepan-4-ium-1-ylcarbonyl)-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-(1,4-diazepan-4-ium-1-ylcarbonyl)-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-(1,4-diazepan-4-ium-1-carbonyl)-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[1,4-diazepan-4-ium-1-yl(oxo)methyl]-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-(1,4-diazepan-4-ium-1-carbonyl)-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-(1,4-diazepan-4-ium-1-carbonyl)-4-keto-1H-pyrimidin-2-olate Formula: C10H14N4O3 MolecularWeight: 238.24316

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC(=O)N=C(N2)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC(=O)N=C(N2)[O-]

InChI

InChI=1S/C10H14N4O3/c15-8-6-7(12-10(17)13-8)9(16)14-4-1-2-11-3-5-14/h6,11H,1-5H2,(H2,12,13,15,17)