5-nitro-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-nitro-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-cinnamylpiperazin-1-yl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 5-nitro-4-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 5-nitro-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-cinnamylpiperazino)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C26H30N8O2 MolecularWeight: 486.5688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H30N8O2/c35-34(36)24-25(32-15-13-30(14-16-32)12-6-9-22-7-2-1-3-8-22)28-21-29-26(24)33-19-17-31(18-20-33)23-10-4-5-11-27-23/h1-11,21H,12-20H2