1-[3-(cyclohexylamino)-5,7-dimethyl-2-pyridin-2-yl-imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone

Systemtic Name: 1-[3-(cyclohexylamino)-5,7-dimethyl-2-pyridin-2-yl-imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone Openeye Name: 1-[3-(cyclohexylamino)-5,7-dimethyl-2-(2-pyridyl)imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone CAS Name: 1-[3-(cyclohexylamino)-5,7-dimethyl-2-(2-pyridinyl)-1-imidazo[1,2-a]pyrimidin-4-iumyl]ethanone IUPAC Name: 1-[3-(cyclohexylamino)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone Traditional Name: 1-[3-(cyclohexylamino)-5,7-dimethyl-2-(2-pyridyl)imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=C(N(C2=N1)C(=O)C)C3=CC=CC=N3)NC4CCCCC4)C

Isomeric SMILES

CC1=CC(=[N+]2C(=C(N(C2=N1)C(=O)C)C3=CC=CC=N3)NC4CCCCC4)C

InChI

InChI=1S/C21H26N5O/c1-14-13-15(2)25-20(24-17-9-5-4-6-10-17)19(18-11-7-8-12-22-18)26(16(3)27)21(25)23-14/h7-8,11-13,17,24H,4-6,9-10H2,1-3H3/q+1