N4-[(4-azanylcyclohexyl)methyl]-N2-[(2-chloranyl-6-fluoranyl-3-methyl-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(4-azanylcyclohexyl)methyl]-N2-[(2-chloranyl-6-fluoranyl-3-methyl-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-N2-[(2-chloro-6-fluoro-3-methyl-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-N2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-2-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[2-[(2-chloro-6-fluoro-3-methyl-benzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H24ClFN6O2 MolecularWeight: 422.884263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)F)CNC2=NC=C(C(=N2)NCC3CCC(CC3)N)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)F)CNC2=NC=C(C(=N2)NCC3CCC(CC3)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H24ClFN6O2/c1-11-2-7-15(21)14(17(11)20)9-24-19-25-10-16(27(28)29)18(26-19)23-8-12-3-5-13(22)6-4-12/h2,7,10,12-13H,3-6,8-9,22H2,1H3,(H2,23,24,25,26)