N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-5-amine

Systemtic Name: N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-5-amine Traditional Name: [5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(5-quinolyl)amine Formula: C22H20N8O2 MolecularWeight: 428.4466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C22H20N8O2/c31-30(32)20-21(27-18-7-3-6-17-16(18)5-4-10-23-17)25-15-26-22(20)29-13-11-28(12-14-29)19-8-1-2-9-24-19/h1-10,15H,11-14H2,(H,25,26,27)