methyl 3-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoate CAS Name: 3-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoate Traditional Name: 3-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]propionic acid methyl ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC(=O)N2C=C(C=CC2=N1)Br

Isomeric SMILES

COC(=O)CCSCC1=CC(=O)N2C=C(C=CC2=N1)Br

InChI

InChI=1S/C13H13BrN2O3S/c1-19-13(18)4-5-20-8-10-6-12(17)16-7-9(14)2-3-11(16)15-10/h2-3,6-7H,4-5,8H2,1H3