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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylamino]propanoic acid IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylamino]propionic acid Formula: C12H12BrN3O3 MolecularWeight: 326.14598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCC1=CC(=O)N2C=C(C=CC2=N1)Br

Isomeric SMILES

CC(C(=O)O)NCC1=CC(=O)N2C=C(C=CC2=N1)Br

InChI

InChI=1S/C12H12BrN3O3/c1-7(12(18)19)14-5-9-4-11(17)16-6-8(13)2-3-10(16)15-9/h2-4,6-7,14H,5H2,1H3,(H,18,19)