3-[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]propyl 4-azanylbenzoate hydrobromide

Systemtic Name: 3-[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]propyl 4-azanylbenzoate hydrobromide Openeye Name: 3-[(2-oxo-1H-pyrimidin-6-yl)amino]propyl 4-aminobenzoate hydrobromide CAS Name: 4-aminobenzoic acid 3-[(2-oxo-1H-pyrimidin-6-yl)amino]propyl ester hydrobromide IUPAC Name: 3-[(2-oxo-1H-pyrimidin-6-yl)amino]propyl 4-aminobenzoate hydrobromide Traditional Name: 4-aminobenzoic acid 3-[(2-keto-1H-pyrimidin-6-yl)amino]propyl ester hydrobromide Formula: C14H17BrN4O3 MolecularWeight: 369.21378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCNC2=CC=NC(=O)N2)N.Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCNC2=CC=NC(=O)N2)N.Br

InChI

InChI=1S/C14H16N4O3.BrH/c15-11-4-2-10(3-5-11)13(19)21-9-1-7-16-12-6-8-17-14(20)18-12;/h2-6,8H,1,7,9,15H2,(H2,16,17,18,20);1H