2-[4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyl]piperazino]pyrimidine Formula: C17H25N7O2 MolecularWeight: 359.4261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCCN2CCN(CC2)C3=NC=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCCN2CCN(CC2)C3=NC=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N7O2/c1-14-16(24(25)26)15(2)23(20-14)9-4-3-8-21-10-12-22(13-11-21)17-18-6-5-7-19-17/h5-7H,3-4,8-13H2,1-2H3