N4-[(4-azanylcyclohexyl)methyl]-N2-(naphthalen-1-ylmethyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(4-azanylcyclohexyl)methyl]-N2-(naphthalen-1-ylmethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-N2-(1-naphthylmethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-N2-(1-naphthalenylmethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-2-N-(naphthalen-1-ylmethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[2-(1-naphthylmethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C22H26N6O2/c23-18-10-8-15(9-11-18)12-24-21-20(28(29)30)14-26-22(27-21)25-13-17-6-3-5-16-4-1-2-7-19(16)17/h1-7,14-15,18H,8-13,23H2,(H2,24,25,26,27)