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

Systemtic Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-methyl-1-piperazinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C20H28N8O2 MolecularWeight: 412.48872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H28N8O2/c1-24-7-13-27(14-8-24)23-19-18(28(29)30)20(22-16-21-19)26-11-9-25(10-12-26)15-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,21,22,23)