2-[2-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H15BrN5O3S- MolecularWeight: 437.291

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C3C(=C2)NC(=O)N3)Br)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C3C(=C2)NC(=O)N3)Br)[O-]

InChI

InChI=1S/C16H16BrN5O3S/c1-2-3-8-4-13(23)22-16(18-8)26-7-14(24)19-10-6-12-11(5-9(10)17)20-15(25)21-12/h4-6H,2-3,7H2,1H3,(H,19,24)(H,18,22,23)(H2,20,21,25)/p-1