N-(4-methylsulfonylphenyl)-5-nitro-6-(1-pyridin-2-ylpiperidin-4-yl)oxy-pyrimidin-4-amine

Systemtic Name: N-(4-methylsulfonylphenyl)-5-nitro-6-(1-pyridin-2-ylpiperidin-4-yl)oxy-pyrimidin-4-amine Openeye Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[[1-(2-pyridyl)-4-piperidyl]oxy]pyrimidin-4-amine CAS Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[[1-(2-pyridinyl)-4-piperidinyl]oxy]-4-pyrimidinamine IUPAC Name: N-(4-methylsulfonylphenyl)-5-nitro-6-(1-pyridin-2-ylpiperidin-4-yl)oxypyrimidin-4-amine Traditional Name: (4-mesylphenyl)-[5-nitro-6-[[1-(2-pyridyl)-4-piperidyl]oxy]pyrimidin-4-yl]amine Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5S/c1-33(30,31)17-7-5-15(6-8-17)25-20-19(27(28)29)21(24-14-23-20)32-16-9-12-26(13-10-16)18-4-2-3-11-22-18/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,23,24,25)