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

Systemtic Name: 2-methyl-8-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]oxy-quinoline Openeye Name: 2-methyl-8-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]oxy-quinoline CAS Name: 2-methyl-8-[[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]oxy]quinoline IUPAC Name: 2-methyl-8-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]oxyquinoline Traditional Name: 2-methyl-8-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]oxy-quinoline Formula: C24H22N6O3 MolecularWeight: 442.46988

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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=C5)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C24H22N6O3/c1-17-10-11-18-6-5-9-20(21(18)27-17)33-24-22(30(31)32)23(25-16-26-24)29-14-12-28(13-15-29)19-7-3-2-4-8-19/h2-11,16H,12-15H2,1H3