4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-3-nitro-benzonitrile Formula: C17H16N8O2 MolecularWeight: 364.36134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C4=C(C=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C4=C(C=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N8O2/c1-22-16-13(10-21-22)17(20-11-19-16)24-6-4-23(5-7-24)14-3-2-12(9-18)8-15(14)25(26)27/h2-3,8,10-11H,4-7H2,1H3