[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)ethanoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C25H20N4O5S MolecularWeight: 488.5151

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O5S/c1-35-25-27-22(17-6-3-2-4-7-17)15-23(28-25)26-18-8-5-9-21(14-18)34-24(30)16-33-20-12-10-19(11-13-20)29(31)32/h2-15H,16H2,1H3,(H,26,27,28)