(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H16BrN4O3S+ MolecularWeight: 436.30294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C

InChI

InChI=1S/C17H15BrN4O3S/c1-10-5-11(2)20-17(19-10)26-9-16(24)25-8-13-6-15(23)22-7-12(18)3-4-14(22)21-13/h3-7H,8-9H2,1-2H3/p+1