1-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]piperazino]ethanone Formula: C22H27N7O5 MolecularWeight: 469.49368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H27N7O5/c1-16(30)26-8-10-28(11-9-26)22-20(29(31)32)21(23-14-24-22)27-6-4-25(5-7-27)13-17-2-3-18-19(12-17)34-15-33-18/h2-3,12,14H,4-11,13,15H2,1H3