1-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C16H18N8O2 MolecularWeight: 354.36652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H18N8O2/c1-2-21-7-9-22(10-8-21)15-14(24(25)26)16(18-11-17-15)23-13-6-4-3-5-12(13)19-20-23/h3-6,11H,2,7-10H2,1H3