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

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]propionic acid Formula: C12H11ClN2O3S MolecularWeight: 298.74534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(=O)N2C=C(C=CC2=N1)Cl

Isomeric SMILES

CC(C(=O)O)SCC1=CC(=O)N2C=C(C=CC2=N1)Cl

InChI

InChI=1S/C12H11ClN2O3S/c1-7(12(17)18)19-6-9-4-11(16)15-5-8(13)2-3-10(15)14-9/h2-5,7H,6H2,1H3,(H,17,18)