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

Systemtic Name: N4-[[4-(dimethylaminomethyl)phenyl]methyl]-N2-(naphthalen-1-ylmethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(dimethylaminomethyl)phenyl]methyl]-N2-(1-naphthylmethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(dimethylaminomethyl)phenyl]methyl]-N2-(1-naphthalenylmethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(dimethylaminomethyl)phenyl]methyl]-2-N-(naphthalen-1-ylmethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: dimethyl-[4-[[[2-(1-naphthylmethylamino)-5-nitro-pyrimidin-4-yl]amino]methyl]benzyl]amine Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N6O2/c1-30(2)17-19-12-10-18(11-13-19)14-26-24-23(31(32)33)16-28-25(29-24)27-15-21-8-5-7-20-6-3-4-9-22(20)21/h3-13,16H,14-15,17H2,1-2H3,(H2,26,27,28,29)