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

Systemtic Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-ethyl-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C25H29N5O2 MolecularWeight: 431.53006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2/c1-3-29(22-11-7-8-19(2)16-22)25-23(30(31)32)24(26-18-27-25)28-14-12-21(13-15-28)17-20-9-5-4-6-10-20/h4-11,16,18,21H,3,12-15,17H2,1-2H3