N-(4-methylsulfonylphenyl)-5-nitro-6-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[4-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pyrimidin-4-amine CAS Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[4-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Traditional Name: (4-mesylphenyl)-[5-nitro-6-[4-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]piperidino]pyrimidin-4-yl]amine Formula: C23H22N8O5S MolecularWeight: 522.53638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=NC(=NO4)C5=CN=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=NC(=NO4)C5=CN=CC=C5

InChI

InChI=1S/C23H22N8O5S/c1-37(34,35)18-6-4-17(5-7-18)27-21-19(31(32)33)22(26-14-25-21)30-11-8-15(9-12-30)23-28-20(29-36-23)16-3-2-10-24-13-16/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,25,26,27)