N-[4-[[[2-[(3-bromanyl-2-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide

Systemtic Name: N-[4-[[[2-[(3-bromanyl-2-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide Openeye Name: N-[4-[[[2-[(3-bromo-2-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide CAS Name: N-[4-[[[2-[(3-bromo-2-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]methyl]cyclohexyl]methanesulfonamide IUPAC Name: N-[4-[[[2-[(3-bromo-2-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide Traditional Name: N-[4-[[[2-[(3-bromo-2-methyl-benzyl)amino]-5-nitro-pyrimidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide Formula: C20H27BrN6O4S MolecularWeight: 527.43518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Br)CNC2=NC=C(C(=N2)NCC3CCC(CC3)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Br)CNC2=NC=C(C(=N2)NCC3CCC(CC3)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27BrN6O4S/c1-13-15(4-3-5-17(13)21)11-23-20-24-12-18(27(28)29)19(25-20)22-10-14-6-8-16(9-7-14)26-32(2,30)31/h3-5,12,14,16,26H,6-11H2,1-2H3,(H2,22,23,24,25)