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

Systemtic Name: N-[(4-methylphenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-18-7-9-21(10-8-18)16-25-23-22(29(30)31)24(27-17-26-23)28-13-11-20(12-14-28)15-19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,25,26,27)