5-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2,1,3-benzoxadiazole

Systemtic Name: 5-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2,1,3-benzoxadiazole Openeye Name: 5-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-2,1,3-benzoxadiazole CAS Name: 5-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-2,1,3-benzoxadiazole IUPAC Name: 5-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-2,1,3-benzoxadiazole Traditional Name: 5-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxybenzofurazan Formula: C22H19N7O6 MolecularWeight: 477.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC6=NON=C6C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC6=NON=C6C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H19N7O6/c30-29(31)20-21(23-12-24-22(20)34-15-2-3-16-17(10-15)26-35-25-16)28-7-5-27(6-8-28)11-14-1-4-18-19(9-14)33-13-32-18/h1-4,9-10,12H,5-8,11,13H2