4-(3,5-dimethylpyrazol-1-yl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Formula: C26H27N7O2 MolecularWeight: 469.53828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C26H27N7O2/c1-19-17-20(2)32(29-19)26-24(33(34)35)25(27-18-28-26)31-15-13-30(14-16-31)23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17-18,23H,13-16H2,1-2H3