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

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC(C)C(=O)O)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC(C)C(=O)O)C=C1

InChI

InChI=1S/C13H14N2O3S/c1-8-3-4-11-14-10(5-12(16)15(11)6-8)7-19-9(2)13(17)18/h3-6,9H,7H2,1-2H3,(H,17,18)