N-ethyl-5-nitro-N-phenyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-ethyl-5-nitro-N-phenyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-ethyl-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: N-ethyl-5-nitro-N-phenyl-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-ethyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-2-28(21-11-7-4-8-12-21)24-22(29(30)31)23(25-18-26-24)27-15-13-20(14-16-27)17-19-9-5-3-6-10-19/h3-12,18,20H,2,13-17H2,1H3