3-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-5-phenoxy-benzenecarbonitrile

Systemtic Name: 3-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-5-phenoxy-benzenecarbonitrile Openeye Name: 3-[6-(benzylamino)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-5-phenoxy-benzonitrile CAS Name: 3-[[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-5-phenoxybenzonitrile IUPAC Name: 3-[6-(benzylamino)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxy-5-phenoxybenzonitrile Traditional Name: 3-[6-(benzylamino)-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-5-phenoxy-benzonitrile Formula: C25H19N5O6S MolecularWeight: 517.51326

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C25H19N5O6S/c1-37(33,34)25-28-23(27-16-17-8-4-2-5-9-17)22(30(31)32)24(29-25)36-21-13-18(15-26)12-20(14-21)35-19-10-6-3-7-11-19/h2-14H,16H2,1H3,(H,27,28,29)