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

Systemtic Name: N4-[[3-(aminomethyl)cyclohexyl]methyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[3-(aminomethyl)cyclohexyl]methyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[3-(aminomethyl)cyclohexyl]methyl]-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [3-(aminomethyl)cyclohexyl]methyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)CN

Isomeric SMILES

C1CC(CC(C1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)CN

InChI

InChI=1S/C18H23ClN6O2/c19-14-4-6-15(7-5-14)23-18-22-11-16(25(26)27)17(24-18)21-10-13-3-1-2-12(8-13)9-20/h4-7,11-13H,1-3,8-10,20H2,(H2,21,22,23,24)