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

Systemtic Name: 5-(benzimidazol-2-ylidenemethyl)-3-butyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-(benzimidazol-2-ylidenemethyl)-3-butyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-(2-benzimidazolylidenemethyl)-3-butyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-(benzimidazol-2-ylidenemethyl)-3-butyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-(benzimidazol-2-ylidenemethyl)-3-butyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C16H15N4O2S- MolecularWeight: 327.3809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=S)C=C2N=C3C=CC=CC3=N2)[O-]

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=S)C=C2N=C3C=CC=CC3=N2)[O-]

InChI

InChI=1S/C16H16N4O2S/c1-2-3-8-20-15(22)10(14(21)19-16(20)23)9-13-17-11-6-4-5-7-12(11)18-13/h4-7,9,22H,2-3,8H2,1H3,(H,19,21,23)/p-1