8-nitro-5-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline

Systemtic Name: 8-nitro-5-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline Openeye Name: 8-nitro-5-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline CAS Name: 8-nitro-5-[4-(2-pyrimidinyl)-1-piperazinyl]isoquinoline IUPAC Name: 8-nitro-5-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline Traditional Name: 8-nitro-5-[4-(2-pyrimidyl)piperazino]isoquinoline Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C17H16N6O2/c24-23(25)16-3-2-15(13-4-7-18-12-14(13)16)21-8-10-22(11-9-21)17-19-5-1-6-20-17/h1-7,12H,8-11H2