4-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl bromide

Systemtic Name: 4-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl bromide Openeye Name: 4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl bromide CAS Name: 4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl bromide IUPAC Name: 4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl bromide Traditional Name: 4-[3-keto-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl bromide Formula: C14H16BrN3O2 MolecularWeight: 338.19974

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NC(=O)CCC2=CC=C(C=C2)C(=O)Br

Isomeric SMILES

C1CNC(=NC1)NC(=O)CCC2=CC=C(C=C2)C(=O)Br

InChI

InChI=1S/C14H16BrN3O2/c15-13(20)11-5-2-10(3-6-11)4-7-12(19)18-14-16-8-1-9-17-14/h2-3,5-6H,1,4,7-9H2,(H2,16,17,18,19)