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

Systemtic Name: 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzotriazole Openeye Name: 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzotriazole CAS Name: 1-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzotriazole Traditional Name: 1-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]benzotriazole Formula: C20H18N8O2 MolecularWeight: 402.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H18N8O2/c29-28(30)18-19(26-12-10-25(11-13-26)15-6-2-1-3-7-15)21-14-22-20(18)27-17-9-5-4-8-16(17)23-24-27/h1-9,14H,10-13H2