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

Systemtic Name: N4-[(1-methylpiperidin-4-yl)methyl]-N2-(naphthalen-1-ylmethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(1-methyl-4-piperidyl)methyl]-N2-(1-naphthylmethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(1-methyl-4-piperidinyl)methyl]-N2-(1-naphthalenylmethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(1-methylpiperidin-4-yl)methyl]-2-N-(naphthalen-1-ylmethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: (1-methyl-4-piperidyl)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:

CN1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H26N6O2/c1-27-11-9-16(10-12-27)13-23-21-20(28(29)30)15-25-22(26-21)24-14-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,15-16H,9-14H2,1H3,(H2,23,24,25,26)