2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)[O-]

InChI

InChI=1S/C16H15BrN4O2S/c1-2-3-11-6-14(22)20-16(19-11)24-9-12-7-15(23)21-8-10(17)4-5-13(21)18-12/h4-8H,2-3,9H2,1H3,(H,19,20,22)