1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]-2-pentyl-guanidine trihydrate dihydrochloride

Systemtic Name: 1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]-2-pentyl-guanidine trihydrate dihydrochloride Openeye Name: 1-[4-(2-methyl-1H-imidazol-5-yl)thiazol-2-yl]-2-pentyl-guanidine trihydrate dihydrochloride CAS Name: 1-[4-(2-methyl-1H-imidazol-5-yl)-2-thiazolyl]-2-pentylguanidine trihydrate dihydrochloride IUPAC Name: 1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]-2-pentylguanidine trihydrate dihydrochloride Traditional Name: 2-amyl-1-[4-(2-methyl-1H-imidazol-5-yl)thiazol-2-yl]guanidine trihydrate dihydrochloride Formula: C13H28Cl2N6O3S MolecularWeight: 419.37082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(N)NC1=NC(=CS1)C2=CN=C(N2)C.O.O.O.Cl.Cl

Isomeric SMILES

CCCCCN=C(N)NC1=NC(=CS1)C2=CN=C(N2)C.O.O.O.Cl.Cl

InChI

InChI=1S/C13H20N6S.2ClH.3H2O/c1-3-4-5-6-15-12(14)19-13-18-11(8-20-13)10-7-16-9(2)17-10;;;;;/h7-8H,3-6H2,1-2H3,(H,16,17)(H3,14,15,18,19);2*1H;3*1H2