2-[4-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C16H18N8O3 MolecularWeight: 370.36592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCN1CCO)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H18N8O3/c25-10-9-21-5-7-22(8-6-21)15-14(24(26)27)16(18-11-17-15)23-13-4-2-1-3-12(13)19-20-23/h1-4,11,25H,5-10H2