6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-methyl-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: methyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-phenyl-amine Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N6O4/c1-26(18-5-3-2-4-6-18)22-21(29(30)31)23(25-15-24-22)28-11-9-27(10-12-28)14-17-7-8-19-20(13-17)33-16-32-19/h2-8,13,15H,9-12,14,16H2,1H3