N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[2-(3-fluorophenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[2-(3-fluorophenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[2-(3-fluorophenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[2-(3-fluorophenyl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-[2-(3-fluorophenyl)ethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-[2-(3-fluorophenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H27FN6O2 MolecularWeight: 402.465783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CC(=CC=C3)F

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H27FN6O2/c21-17-3-1-2-14(10-17)8-9-23-20-25-13-18(27(28)29)19(26-20)24-12-16-6-4-15(11-22)5-7-16/h1-3,10,13,15-16H,4-9,11-12,22H2,(H2,23,24,25,26)