2-ethyl-4,6-dimethyl-1-(2-methyl-1H-benzimidazol-4-yl)-2H-imidazo[4,5-b]pyridine trihydrate

Systemtic Name: 2-ethyl-4,6-dimethyl-1-(2-methyl-1H-benzimidazol-4-yl)-2H-imidazo[4,5-b]pyridine trihydrate Openeye Name: 2-ethyl-4,6-dimethyl-1-(2-methyl-1H-benzimidazol-4-yl)-2H-imidazo[4,5-b]pyridine trihydrate CAS Name: 2-ethyl-4,6-dimethyl-1-(2-methyl-1H-benzimidazol-4-yl)-2H-imidazo[4,5-b]pyridine trihydrate IUPAC Name: 2-ethyl-4,6-dimethyl-1-(2-methyl-1H-benzimidazol-4-yl)-2H-imidazo[4,5-b]pyridine trihydrate Traditional Name: 2-ethyl-4,6-dimethyl-1-(2-methyl-1H-benzimidazol-4-yl)-2H-imidazo[4,5-b]pyridine trihydrate Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N=C2C(=CC(=CN2C)C)N1C3=CC=CC4=C3N=C(N4)C.O.O.O

Isomeric SMILES

CCC1N=C2C(=CC(=CN2C)C)N1C3=CC=CC4=C3N=C(N4)C.O.O.O

InChI

InChI=1S/C18H21N5.3H2O/c1-5-16-21-18-15(9-11(2)10-22(18)4)23(16)14-8-6-7-13-17(14)20-12(3)19-13;;;/h6-10,16H,5H2,1-4H3,(H,19,20);3*1H2