N-(4-methylsulfonylphenyl)-5-nitro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-pyrimidin-4-amine

Systemtic Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-pyrimidin-4-amine Openeye Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[[1-(3-pyridylmethyl)-4-piperidyl]oxy]pyrimidin-4-amine CAS Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[[1-(3-pyridinylmethyl)-4-piperidinyl]oxy]-4-pyrimidinamine IUPAC Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypyrimidin-4-amine Traditional Name: (4-mesylphenyl)-[5-nitro-6-[[1-(3-pyridylmethyl)-4-piperidyl]oxy]pyrimidin-4-yl]amine Formula: C22H24N6O5S MolecularWeight: 484.52816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)CC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)CC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O5S/c1-34(31,32)19-6-4-17(5-7-19)26-21-20(28(29)30)22(25-15-24-21)33-18-8-11-27(12-9-18)14-16-3-2-10-23-13-16/h2-7,10,13,15,18H,8-9,11-12,14H2,1H3,(H,24,25,26)