2-[4-(2-methylimidazol-2-yl)-1,3-thiazol-2-yl]guanidine; pentane; trihydrate; dihydrochloride

Systemtic Name: 2-[4-(2-methylimidazol-2-yl)-1,3-thiazol-2-yl]guanidine; pentane; trihydrate; dihydrochloride Openeye Name: 2-[4-(2-methylimidazol-2-yl)thiazol-2-yl]guanidine; pentane; trihydrate; dihydrochloride CAS Name: 2-[4-(2-methyl-2-imidazolyl)-2-thiazolyl]guanidine; pentane; trihydrate; dihydrochloride IUPAC Name: 2-[4-(2-methylimidazol-2-yl)-1,3-thiazol-2-yl]guanidine; pentane; trihydrate; dihydrochloride Traditional Name: 2-[4-(2-methylimidazol-2-yl)thiazol-2-yl]guanidine; n-pentane; trihydrate; dihydrochloride Formula: C13H30Cl2N6O3S MolecularWeight: 421.3867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC.CC1(N=CC=N1)C2=CSC(=N2)N=C(N)N.O.O.O.Cl.Cl

Isomeric SMILES

CCCCC.CC1(N=CC=N1)C2=CSC(=N2)N=C(N)N.O.O.O.Cl.Cl

InChI

InChI=1S/C8H10N6S.C5H12.2ClH.3H2O/c1-8(11-2-3-12-8)5-4-15-7(13-5)14-6(9)10;1-3-5-4-2;;;;;/h2-4H,1H3,(H4,9,10,13,14);3-5H2,1-2H3;2*1H;3*1H2