6-[(2-azanyl-1H-imidazol-3-ium-3-yl)methyl]-5-chloranyl-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(2-azanyl-1H-imidazol-3-ium-3-yl)methyl]-5-chloranyl-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(2-amino-1H-imidazol-3-ium-3-yl)methyl]-5-chloro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(2-amino-1H-imidazol-3-ium-3-yl)methyl]-5-chloro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(2-amino-1H-imidazol-3-ium-3-yl)methyl]-5-chloro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(2-amino-1H-imidazol-3-ium-3-yl)methyl]-5-chloro-4-keto-1H-pyrimidin-2-olate Formula: C8H8ClN5O2 MolecularWeight: 241.63442

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=C(N1)N)CC2=C(C(=O)N=C(N2)[O-])Cl

Isomeric SMILES

C1=C[N+](=C(N1)N)CC2=C(C(=O)N=C(N2)[O-])Cl

InChI

InChI=1S/C8H8ClN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H4,10,11,12,13,15,16)