1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]azepane

Systemtic Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]azepane Openeye Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]azepane CAS Name: 1-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]azepane IUPAC Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]azepane Traditional Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]azepane Formula: C19H25N7O2 MolecularWeight: 383.4475

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O2/c27-26(28)17-18(24-9-5-1-2-6-10-24)21-15-22-19(17)25-13-11-23(12-14-25)16-7-3-4-8-20-16/h3-4,7-8,15H,1-2,5-6,9-14H2