ethanedioate; 3-(furan-2-ylmethyl)-N-(1-methylazepan-4-yl)imidazo[4,5-b]pyridin-2-amine

Systemtic Name: ethanedioate; 3-(furan-2-ylmethyl)-N-(1-methylazepan-4-yl)imidazo[4,5-b]pyridin-2-amine Openeye Name: 3-(2-furylmethyl)-N-(1-methylazepan-4-yl)imidazo[4,5-b]pyridin-2-amine; oxalate CAS Name: 3-(2-furanylmethyl)-N-(1-methyl-4-azepanyl)-2-imidazo[4,5-b]pyridinamine; oxalate IUPAC Name: 3-(furan-2-ylmethyl)-N-(1-methylazepan-4-yl)imidazo[4,5-b]pyridin-2-amine; oxalate Traditional Name: [3-(2-furfuryl)imidazo[4,5-b]pyridin-2-yl]-(1-methylazepan-4-yl)amine; oxalate Formula: C22H23N5O9-4 MolecularWeight: 501.44612

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1)NC2=NC3=C(N2CC4=CC=CO4)N=CC=C3.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN1CCCC(CC1)NC2=NC3=C(N2CC4=CC=CO4)N=CC=C3.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H23N5O.2C2H2O4/c1-22-10-3-5-14(8-11-22)20-18-21-16-7-2-9-19-17(16)23(18)13-15-6-4-12-24-15;2*3-1(4)2(5)6/h2,4,6-7,9,12,14H,3,5,8,10-11,13H2,1H3,(H,20,21);2*(H,3,4)(H,5,6)/p-4