N-(4-methylphenyl)-2-[4-[1-oxidanidyl-3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-(4-methylphenyl)-2-[4-[1-oxidanidyl-3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: 2-[4-[1-oxido-3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-6-(1-piperidyl)-N-(p-tolyl)pyrimidin-4-amine CAS Name: N-(4-methylphenyl)-2-[4-[1-oxido-3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(4-methylphenyl)-2-[4-[1-oxido-3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: [2-[4-[1-oxido-3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-6-piperidino-pyrimidin-4-yl]-(p-tolyl)amine Formula: C26H30F3N7O MolecularWeight: 513.55791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCCCC3)N4CCN(CC4)C5=C(C=CC=[N+]5[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCCCC3)N4CCN(CC4)C5=C(C=CC=[N+]5[O-])C(F)(F)F

InChI

InChI=1S/C26H30F3N7O/c1-19-7-9-20(10-8-19)30-22-18-23(33-11-3-2-4-12-33)32-25(31-22)35-16-14-34(15-17-35)24-21(26(27,28)29)6-5-13-36(24)37/h5-10,13,18H,2-4,11-12,14-17H2,1H3,(H,30,31,32)