1-(3-nitrophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(3-nitrophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(3-nitrophenyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(3-nitrophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(3-nitrophenyl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]ethanone Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3S/c28-20(17-5-4-8-19(13-17)27(29)30)15-31-22-14-21(23-16-24-22)26-11-9-25(10-12-26)18-6-2-1-3-7-18/h1-8,13-14,16H,9-12,15H2