1-propyl-3-[N'-(2-pyridin-2-ylethyl)carbamimidoyl]urea hydrate dihydrobromide

Systemtic Name: 1-propyl-3-[N'-(2-pyridin-2-ylethyl)carbamimidoyl]urea hydrate dihydrobromide Openeye Name: 1-propyl-3-[N'-[2-(2-pyridyl)ethyl]carbamimidoyl]urea hydrate dihydrobromide CAS Name: 1-[amino-[2-(2-pyridinyl)ethylimino]methyl]-3-propylurea hydrate dihydrobromide IUPAC Name: 1-propyl-3-[N'-(2-pyridin-2-ylethyl)carbamimidoyl]urea hydrate dihydrobromide Traditional Name: 1-propyl-3-[N'-[2-(2-pyridyl)ethyl]amidino]urea hydrate dihydrobromide Formula: C12H23Br2N5O2 MolecularWeight: 429.15132

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=NCCC1=CC=CC=N1)N.O.Br.Br

Isomeric SMILES

CCCNC(=O)NC(=NCCC1=CC=CC=N1)N.O.Br.Br

InChI

InChI=1S/C12H19N5O.2BrH.H2O/c1-2-7-16-12(18)17-11(13)15-9-6-10-5-3-4-8-14-10;;;/h3-5,8H,2,6-7,9H2,1H3,(H4,13,15,16,17,18);2*1H;1H2