3-[[4-nitro-7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-nitro-7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[4-nitro-7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[4-nitro-7-[4-(2-pyrimidinyl)-1-piperazinyl]-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[4-nitro-7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-[4-(2-pyrimidyl)piperazino]benzofurazan-5-yl]amino]propan-1-ol Formula: C17H20N8O4 MolecularWeight: 400.3919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)C4=NC=CC=N4

InChI

InChI=1S/C17H20N8O4/c26-10-2-5-18-12-11-13(14-15(22-29-21-14)16(12)25(27)28)23-6-8-24(9-7-23)17-19-3-1-4-20-17/h1,3-4,11,18,26H,2,5-10H2