3-nitro-N'-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]benzohydrazide

Systemtic Name: 3-nitro-N'-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 3-nitro-N'-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C22H22N8O5 MolecularWeight: 478.46068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N8O5/c31-22(17-7-4-8-18(13-17)29(32)33)26-25-20-19(30(34)35)21(24-15-23-20)28-11-9-27(10-12-28)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,26,31)(H,23,24,25)