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

Systemtic Name: 2-[4-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C15H21N7O3 MolecularWeight: 347.37234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)CCO)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)CCO)[N+](=O)[O-])C

InChI

InChI=1S/C15H21N7O3/c1-11-9-12(2)21(18-11)15-13(22(24)25)14(16-10-17-15)20-5-3-19(4-6-20)7-8-23/h9-10,23H,3-8H2,1-2H3