2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-3-methyl-butyric acid Formula: C14H16BrN3O3 MolecularWeight: 354.19914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O3/c1-8(2)13(14(20)21)16-6-10-5-12(19)18-7-9(15)3-4-11(18)17-10/h3-5,7-8,13,16H,6H2,1-2H3,(H,20,21)