N2-(naphthalen-1-ylmethyl)-5-nitro-N4-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(naphthalen-1-ylmethyl)-5-nitro-N4-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-(1-naphthylmethyl)-5-nitro-N4-(4-piperidylmethyl)pyrimidine-2,4-diamine CAS Name: N2-(1-naphthalenylmethyl)-5-nitro-N4-(4-piperidinylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(naphthalen-1-ylmethyl)-5-nitro-4-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine Traditional Name: 1-naphthylmethyl-[5-nitro-4-(4-piperidylmethylamino)pyrimidin-2-yl]amine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CNCCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H24N6O2/c28-27(29)19-14-25-21(26-20(19)23-12-15-8-10-22-11-9-15)24-13-17-6-3-5-16-4-1-2-7-18(16)17/h1-7,14-15,22H,8-13H2,(H2,23,24,25,26)