4-[4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1H-indole

Systemtic Name: 4-[4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1H-indole Openeye Name: 4-[4-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1H-indole CAS Name: 4-[4-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinyl]-1H-indole IUPAC Name: 4-[4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1H-indole Traditional Name: 4-[4-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]piperazino]-1H-indole Formula: C25H27N9O2 MolecularWeight: 485.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2C=CN3)C4=C(C(=NC=N4)N5CCN(CC5)C6=CC=CC=N6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2C=CN3)C4=C(C(=NC=N4)N5CCN(CC5)C6=CC=CC=N6)[N+](=O)[O-]

InChI

InChI=1S/C25H27N9O2/c35-34(36)23-24(32-14-10-30(11-15-32)21-5-3-4-20-19(21)7-9-26-20)28-18-29-25(23)33-16-12-31(13-17-33)22-6-1-2-8-27-22/h1-9,18,26H,10-17H2