N2-(3-fluorophenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-(3-fluorophenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N2-(3-fluorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-fluorophenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-(3-fluorophenyl)amine Formula: C22H23FN6O2 MolecularWeight: 422.455423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NC4=CC(=CC=C4)F)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NC4=CC(=CC=C4)F)N)[N+](=O)[O-]

InChI

InChI=1S/C22H23FN6O2/c23-17-7-4-8-18(14-17)25-22-26-20(24)19(29(30)31)21(27-22)28-11-9-16(10-12-28)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H3,24,25,26,27)