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

Systemtic Name: N-(4-ethylsulfonyl-2-fluoranyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(4-ethylsulfonyl-2-fluoro-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: N-(4-ethylsulfonyl-2-fluorophenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(4-ethylsulfonyl-2-fluorophenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Traditional Name: (4-esyl-2-fluoro-phenyl)-[6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H26FN7O5S MolecularWeight: 519.549143

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=NC(=NO4)C(C)C)F

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=NC(=NO4)C(C)C)F

InChI

InChI=1S/C22H26FN7O5S/c1-4-36(33,34)15-5-6-17(16(23)11-15)26-20-18(30(31)32)21(25-12-24-20)29-9-7-14(8-10-29)22-27-19(13(2)3)28-35-22/h5-6,11-14H,4,7-10H2,1-3H3,(H,24,25,26)