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

Systemtic Name: 5-nitro-N-(4-phenoxyphenyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(4-phenoxyphenyl)-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O3/c34-33(35)26-27(31-23-11-13-25(14-12-23)36-24-9-5-2-6-10-24)29-20-30-28(26)32-17-15-22(16-18-32)19-21-7-3-1-4-8-21/h1-14,20,22H,15-19H2,(H,29,30,31)