1-propyl-3-[N'-(3-pyridin-2-ylpropyl)carbamimidoyl]urea hydrate dihydrochloride

Systemtic Name: 1-propyl-3-[N'-(3-pyridin-2-ylpropyl)carbamimidoyl]urea hydrate dihydrochloride Openeye Name: 1-propyl-3-[N'-[3-(2-pyridyl)propyl]carbamimidoyl]urea hydrate dihydrochloride CAS Name: 1-[amino-[3-(2-pyridinyl)propylimino]methyl]-3-propylurea hydrate dihydrochloride IUPAC Name: 1-propyl-3-[N'-(3-pyridin-2-ylpropyl)carbamimidoyl]urea hydrate dihydrochloride Traditional Name: 1-propyl-3-[N'-[3-(2-pyridyl)propyl]amidino]urea hydrate dihydrochloride Formula: C13H25Cl2N5O2 MolecularWeight: 354.2759

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=NCCCC1=CC=CC=N1)N.O.Cl.Cl

Isomeric SMILES

CCCNC(=O)NC(=NCCCC1=CC=CC=N1)N.O.Cl.Cl

InChI

InChI=1S/C13H21N5O.2ClH.H2O/c1-2-8-17-13(19)18-12(14)16-10-5-7-11-6-3-4-9-15-11;;;/h3-4,6,9H,2,5,7-8,10H2,1H3,(H4,14,16,17,18,19);2*1H;1H2