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

Systemtic Name: 4-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylamino]butanoic acid Openeye Name: 4-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylamino]butanoic acid CAS Name: 4-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylamino]butanoic acid IUPAC Name: 4-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]butanoic acid Traditional Name: 4-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylamino]butyric acid Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Br)CNCCCC(=O)O

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)CNCCCC(=O)O

InChI

InChI=1S/C13H14BrN3O3/c14-9-3-4-11-16-10(6-12(18)17(11)8-9)7-15-5-1-2-13(19)20/h3-4,6,8,15H,1-2,5,7H2,(H,19,20)