1-[3-[(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)amino]phenyl]ethanone

Systemtic Name: 1-[3-[(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O3S/c1-13(27)15-6-2-8-16(11-15)25-20-19(26(28)29)21(24-12-23-20)30-17-9-3-5-14-7-4-10-22-18(14)17/h2-12H,1H3,(H,23,24,25)