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

Systemtic Name: N-[4-[[[2-[(3-bromanyl-2-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanamide Openeye Name: N-[4-[[[2-[(3-bromo-2-methyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]methyl]cyclohexyl]acetamide CAS Name: N-[4-[[[2-[(3-bromo-2-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]methyl]cyclohexyl]acetamide IUPAC Name: N-[4-[[[2-[(3-bromo-2-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]methyl]cyclohexyl]acetamide Traditional Name: N-[4-[[[2-[(3-bromo-2-methyl-benzyl)amino]-5-nitro-pyrimidin-4-yl]amino]methyl]cyclohexyl]acetamide Formula: C21H27BrN6O3 MolecularWeight: 491.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN6O3/c1-13-16(4-3-5-18(13)22)11-24-21-25-12-19(28(30)31)20(27-21)23-10-15-6-8-17(9-7-15)26-14(2)29/h3-5,12,15,17H,6-11H2,1-2H3,(H,26,29)(H2,23,24,25,27)