5-nitro-N-(4-phenyldiazenylphenyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(4-phenyldiazenylphenyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(4-phenylazophenyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(4-phenyldiazenylphenyl)-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(4-phenyldiazenylphenyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-phenylazophenyl)amine Formula: C27H26N8O2 MolecularWeight: 494.54774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N8O2/c36-35(37)25-26(30-22-11-13-24(14-12-22)32-31-23-9-5-2-6-10-23)28-20-29-27(25)34-17-15-33(16-18-34)19-21-7-3-1-4-8-21/h1-14,20H,15-19H2,(H,28,29,30)