2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]acetic acid IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]acetic acid Formula: C11H9BrN2O3S MolecularWeight: 329.16976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Br)CSCC(=O)O

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)CSCC(=O)O

InChI

InChI=1S/C11H9BrN2O3S/c12-7-1-2-9-13-8(5-18-6-11(16)17)3-10(15)14(9)4-7/h1-4H,5-6H2,(H,16,17)