5-nitro-N-pyridin-3-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-pyridin-3-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(3-pyridyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 5-nitro-N-(3-pyridinyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 5-nitro-N-pyridin-3-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(3-pyridyl)amine Formula: C18H18N8O2 MolecularWeight: 378.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N8O2/c27-26(28)16-17(23-14-4-3-6-19-12-14)21-13-22-18(16)25-10-8-24(9-11-25)15-5-1-2-7-20-15/h1-7,12-13H,8-11H2,(H,21,22,23)