1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole

Systemtic Name: 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole Openeye Name: 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole CAS Name: 1-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]benzimidazole IUPAC Name: 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole Traditional Name: 1-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]benzimidazole Formula: C21H19N7O2 MolecularWeight: 401.42126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

InChI

InChI=1S/C21H19N7O2/c29-28(30)19-20(26-12-10-25(11-13-26)16-6-2-1-3-7-16)22-14-23-21(19)27-15-24-17-8-4-5-9-18(17)27/h1-9,14-15H,10-13H2