2-[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]ethyl benzoate hydrobromide

Systemtic Name: 2-[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]ethyl benzoate hydrobromide Openeye Name: 2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl benzoate hydrobromide CAS Name: benzoic acid 2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl ester hydrobromide IUPAC Name: 2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl benzoate hydrobromide Traditional Name: benzoic acid 2-[(2-keto-1H-pyrimidin-6-yl)amino]ethyl ester hydrobromide Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCNC2=CC=NC(=O)N2.Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCNC2=CC=NC(=O)N2.Br

InChI

InChI=1S/C13H13N3O3.BrH/c17-12(10-4-2-1-3-5-10)19-9-8-14-11-6-7-15-13(18)16-11;/h1-7H,8-9H2,(H2,14,15,16,18);1H