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

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(4-keto-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC(=O)[N+]3=C(C=CC=C3N2)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC(=O)[N+]3=C(C=CC=C3N2)C)[O-]

InChI

InChI=1S/C17H18N4O2S/c1-3-5-12-8-15(22)20-17(19-12)24-10-13-9-16(23)21-11(2)6-4-7-14(21)18-13/h4,6-9H,3,5,10H2,1-2H3,(H,19,20,22)