2-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C16H24N8O3 MolecularWeight: 376.41356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N8O3/c25-11-10-21-6-8-23(9-7-21)16-14(24(26)27)15(19-12-20-16)18-2-1-4-22-5-3-17-13-22/h3,5,12-13,25H,1-2,4,6-11H2,(H,18,19,20)