2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c1-8(12(16)17)18-7-9-6-11(15)14-5-3-2-4-10(14)13-9/h2-6,8H,7H2,1H3,(H,16,17)