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

Systemtic Name: N4-[(4-azanylcyclohexyl)methyl]-N2-[2-(3-chlorophenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-N2-[2-(3-chlorophenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-N2-[2-(3-chlorophenyl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-2-N-[2-(3-chlorophenyl)ethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[2-[2-(3-chlorophenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H25ClN6O2 MolecularWeight: 404.8938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CC(=CC=C3)Cl)N

Isomeric SMILES

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CC(=CC=C3)Cl)N

InChI

InChI=1S/C19H25ClN6O2/c20-15-3-1-2-13(10-15)8-9-22-19-24-12-17(26(27)28)18(25-19)23-11-14-4-6-16(21)7-5-14/h1-3,10,12,14,16H,4-9,11,21H2,(H2,22,23,24,25)