4-[4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-1H-indole

Systemtic Name: 4-[4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-1H-indole Openeye Name: 4-[4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-1H-indole CAS Name: 4-[4-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-1H-indole IUPAC Name: 4-[4-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]-1H-indole Traditional Name: 4-[4-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]piperazino]-1H-indole Formula: C21H26N8O2 MolecularWeight: 422.48354

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC5=C4C=CN5

Isomeric SMILES

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC5=C4C=CN5

InChI

InChI=1S/C21H26N8O2/c1-25-7-9-27(10-8-25)20-19(29(30)31)21(24-15-23-20)28-13-11-26(12-14-28)18-4-2-3-17-16(18)5-6-22-17/h2-6,15,22H,7-14H2,1H3