2-methyl-8-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-quinoline

Systemtic Name: 2-methyl-8-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-quinoline Openeye Name: 2-methyl-8-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxy-quinoline CAS Name: 2-methyl-8-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]quinoline IUPAC Name: 2-methyl-8-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyquinoline Traditional Name: 2-methyl-8-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxy-quinoline Formula: C23H21N7O3 MolecularWeight: 443.45794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5)C=C1

InChI

InChI=1S/C23H21N7O3/c1-16-8-9-17-5-4-6-18(20(17)27-16)33-23-21(30(31)32)22(25-15-26-23)29-13-11-28(12-14-29)19-7-2-3-10-24-19/h2-10,15H,11-14H2,1H3