5-(benzimidazol-2-ylidenemethyl)-3-hexyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-(benzimidazol-2-ylidenemethyl)-3-hexyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-(benzimidazol-2-ylidenemethyl)-3-hexyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-(2-benzimidazolylidenemethyl)-3-hexyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-(benzimidazol-2-ylidenemethyl)-3-hexyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-(benzimidazol-2-ylidenemethyl)-3-hexyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C18H19N4O2S- MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=O)NC1=S)C=C2N=C3C=CC=CC3=N2)[O-]

Isomeric SMILES

CCCCCCN1C(=C(C(=O)NC1=S)C=C2N=C3C=CC=CC3=N2)[O-]

InChI

InChI=1S/C18H20N4O2S/c1-2-3-4-7-10-22-17(24)12(16(23)21-18(22)25)11-15-19-13-8-5-6-9-14(13)20-15/h5-6,8-9,11,24H,2-4,7,10H2,1H3,(H,21,23,25)/p-1