N-(3-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(3-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: N-(3-fluoro-4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(3-fluoro-4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Traditional Name: (3-fluoro-4-mesyl-phenyl)-[6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H24FN7O5S MolecularWeight: 505.522563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C2CCN(CC2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)S(=O)(=O)C)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NOC(=N1)C2CCN(CC2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)S(=O)(=O)C)F)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-14-4-5-16(15(22)10-14)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)