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

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperazinyl]-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-benzylpiperazino)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C24H28N8O2 MolecularWeight: 460.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C24H28N8O2/c33-32(34)22-23(30-12-10-28(11-13-30)18-20-6-2-1-3-7-20)26-19-27-24(22)31-16-14-29(15-17-31)21-8-4-5-9-25-21/h1-9,19H,10-18H2