5-(1,3-dihydrobenzimidazol-2-ylideneazaniumylsulfonyl)-6-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 5-(1,3-dihydrobenzimidazol-2-ylideneazaniumylsulfonyl)-6-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 5-(1,3-dihydrobenzimidazol-2-ylideneammoniosulfonyl)-6-oxo-1H-pyrimidin-2-olate CAS Name: 5-(1,3-dihydrobenzimidazol-2-ylideneammoniosulfonyl)-6-oxo-1H-pyrimidin-2-olate IUPAC Name: 5-(1,3-dihydrobenzimidazol-2-ylideneazaniumylsulfonyl)-6-oxo-1H-pyrimidin-2-olate Traditional Name: 5-(1,3-dihydrobenzimidazol-2-ylideneammoniosulfonyl)-6-keto-1H-pyrimidin-2-olate Formula: C11H9N5O4S MolecularWeight: 307.28526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]S(=O)(=O)C3=CN=C(NC3=O)[O-])N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]S(=O)(=O)C3=CN=C(NC3=O)[O-])N2

InChI

InChI=1S/C11H9N5O4S/c17-9-8(5-12-11(18)15-9)21(19,20)16-10-13-6-3-1-2-4-7(6)14-10/h1-5H,(H2,13,14,16)(H2,12,15,17,18)