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

Systemtic Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-ethyl-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-ethyl-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N6O2/c1-3-29(21-11-7-8-19(2)16-21)24-22(30(31)32)23(25-18-26-24)28-14-12-27(13-15-28)17-20-9-5-4-6-10-20/h4-11,16,18H,3,12-15,17H2,1-2H3