3-[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]propyl benzoate hydrobromide

Systemtic Name: 3-[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]propyl benzoate hydrobromide Openeye Name: 3-[(2-oxo-1H-pyrimidin-6-yl)amino]propyl benzoate hydrobromide CAS Name: benzoic acid 3-[(2-oxo-1H-pyrimidin-6-yl)amino]propyl ester hydrobromide IUPAC Name: 3-[(2-oxo-1H-pyrimidin-6-yl)amino]propyl benzoate hydrobromide Traditional Name: benzoic acid 3-[(2-keto-1H-pyrimidin-6-yl)amino]propyl ester hydrobromide Formula: C14H16BrN3O3 MolecularWeight: 354.19914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCNC2=CC=NC(=O)N2.Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCNC2=CC=NC(=O)N2.Br

InChI

InChI=1S/C14H15N3O3.BrH/c18-13(11-5-2-1-3-6-11)20-10-4-8-15-12-7-9-16-14(19)17-12;/h1-3,5-7,9H,4,8,10H2,(H2,15,16,17,19);1H