3-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-keto-9-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=CC=CN2C1=NC(=CC2=O)CSCCC(=O)O

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)CSCCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-9-3-2-5-15-11(16)7-10(14-13(9)15)8-19-6-4-12(17)18/h2-3,5,7H,4,6,8H2,1H3,(H,17,18)