N-(3,5-dimethylphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3,5-dimethylphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(3,5-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3,5-dimethylphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C

InChI

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