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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-ethyl-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-ethyl-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-ethyl-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-ethyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: ethyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-phenyl-amine Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O4/c1-2-29(19-6-4-3-5-7-19)24-22(30(31)32)23(25-16-26-24)28-12-10-27(11-13-28)15-18-8-9-20-21(14-18)34-17-33-20/h3-9,14,16H,2,10-13,15,17H2,1H3