N4-[(4-azanylcyclohexyl)methyl]-N2-[(3-bromanyl-2-methyl-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(4-azanylcyclohexyl)methyl]-N2-[(3-bromanyl-2-methyl-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-N2-[(3-bromo-2-methyl-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-N2-[(3-bromo-2-methylphenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-bromo-2-methylphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[2-[(3-bromo-2-methyl-benzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H25BrN6O2 MolecularWeight: 449.3448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN6O2/c1-12-14(3-2-4-16(12)20)10-23-19-24-11-17(26(27)28)18(25-19)22-9-13-5-7-15(21)8-6-13/h2-4,11,13,15H,5-10,21H2,1H3,(H2,22,23,24,25)