4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(6-nitro-3-pyridyl)piperazino]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C20H18N8O2 MolecularWeight: 402.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

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