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

Systemtic Name: N-methyl-5-nitro-N-phenyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: N-methyl-5-nitro-N-phenyl-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-methyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c1-26(20-10-6-3-7-11-20)22-21(28(29)30)23(25-17-24-22)27-14-12-19(13-15-27)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3