N-[1-[4-[[[5-nitro-2-[[3-[[4-(trifluoromethyl)pyridin-2-yl]methylamino]phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]azetidin-3-yl]methanesulfonamide

Systemtic Name: N-[1-[4-[[[5-nitro-2-[[3-[[4-(trifluoromethyl)pyridin-2-yl]methylamino]phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]azetidin-3-yl]methanesulfonamide Openeye Name: N-[1-[4-[[[5-nitro-2-[[3-[[4-(trifluoromethyl)-2-pyridyl]methylamino]phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]azetidin-3-yl]methanesulfonamide CAS Name: N-[1-[4-[[[5-nitro-2-[[3-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]phenyl]methylamino]-4-pyrimidinyl]amino]methyl]cyclohexyl]-3-azetidinyl]methanesulfonamide IUPAC Name: N-[1-[4-[[[5-nitro-2-[[3-[[4-(trifluoromethyl)pyridin-2-yl]methylamino]phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]azetidin-3-yl]methanesulfonamide Traditional Name: N-[1-[4-[[[5-nitro-2-[[3-[[4-(trifluoromethyl)-2-pyridyl]methylamino]benzyl]amino]pyrimidin-4-yl]amino]methyl]cyclohexyl]azetidin-3-yl]methanesulfonamide Formula: C29H36F3N9O4S MolecularWeight: 663.71425

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CN(C1)C2CCC(CC2)CNC3=NC(=NC=C3[N+](=O)[O-])NCC4=CC(=CC=C4)NCC5=NC=CC(=C5)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)NC1CN(C1)C2CCC(CC2)CNC3=NC(=NC=C3[N+](=O)[O-])NCC4=CC(=CC=C4)NCC5=NC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C29H36F3N9O4S/c1-46(44,45)39-24-17-40(18-24)25-7-5-19(6-8-25)13-35-27-26(41(42)43)16-37-28(38-27)36-14-20-3-2-4-22(11-20)34-15-23-12-21(9-10-33-23)29(30,31)32/h2-4,9-12,16,19,24-25,34,39H,5-8,13-15,17-18H2,1H3,(H2,35,36,37,38)