N-(4-methylphenyl)-2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-(4-methylphenyl)-2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: 2-[4-(1-oxidopyridin-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-2-pyridin-1-iumyl)-1-piperazinyl]-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(4-methylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: [2-[4-(1-oxidopyridin-1-ium-2-yl)piperazino]-6-piperidino-pyrimidin-4-yl]-(p-tolyl)amine Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N7O/c1-20-8-10-21(11-9-20)26-22-19-23(29-12-4-2-5-13-29)28-25(27-22)31-17-15-30(16-18-31)24-7-3-6-14-32(24)33/h3,6-11,14,19H,2,4-5,12-13,15-18H2,1H3,(H,26,27,28)