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

Systemtic Name: 2-azanyl-3-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]propionic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1)CSCC(C(=O)O)N

InChI

InChI=1S/C12H13N3O3S/c13-9(12(17)18)7-19-6-8-5-11(16)15-4-2-1-3-10(15)14-8/h1-5,9H,6-7,13H2,(H,17,18)