ethanedioate; 5-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole

Systemtic Name: ethanedioate; 5-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole Openeye Name: 5-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]-4-methyl-thiazole; oxalate CAS Name: 5-[2-[4-[[3-(2-ethoxyethyl)-2-imidazo[4,5-b]pyridinyl]methyl]-1-piperazinyl]ethyl]-4-methylthiazole; oxalate IUPAC Name: 5-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole; oxalate Traditional Name: 5-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazino]ethyl]-4-methyl-thiazole; oxalate Formula: C25H30N6O9S-4 MolecularWeight: 590.6055

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1N=CC=C2)CN3CCN(CC3)CCC4=C(N=CS4)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCOCCN1C(=NC2=C1N=CC=C2)CN3CCN(CC3)CCC4=C(N=CS4)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C21H30N6OS.2C2H2O4/c1-3-28-14-13-27-20(24-18-5-4-7-22-21(18)27)15-26-11-9-25(10-12-26)8-6-19-17(2)23-16-29-19;2*3-1(4)2(5)6/h4-5,7,16H,3,6,8-15H2,1-2H3;2*(H,3,4)(H,5,6)/p-4