3-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1)CSCCC(=O)O

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1)CSCCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c15-11-7-9(8-18-6-4-12(16)17)13-10-3-1-2-5-14(10)11/h1-3,5,7H,4,6,8H2,(H,16,17)