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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N7O2/c1-13-16(24(25)26)14(2)23(21-13)10-3-5-15(17-19-6-4-7-20-17)22-11-8-18-9-12-22/h4,6-7,15,18H,3,5,8-12H2,1-2H3