2-azanyl-3-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]propionic acid Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Br)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)CSCC(C(=O)O)N

InChI

InChI=1S/C12H12BrN3O3S/c13-7-1-2-10-15-8(3-11(17)16(10)4-7)5-20-6-9(14)12(18)19/h1-4,9H,5-6,14H2,(H,18,19)