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

Systemtic Name: N2-methyl-5-nitro-N2-phenyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N2-methyl-5-nitro-N2-phenyl-pyrimidine-2,4-diamine CAS Name: N2-methyl-5-nitro-N2-phenyl-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-methyl-phenyl-amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O2/c1-27(19-10-6-3-7-11-19)23-25-21(24)20(29(30)31)22(26-23)28-14-12-18(13-15-28)16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3,(H2,24,25,26)