1-[3-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O3/c1-16(29)17-6-5-7-18(14-17)25-21-20(28(30)31)22(24-15-23-21)27-12-10-26(11-13-27)19-8-3-2-4-9-19/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)