2-cyano-5-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzamide

Systemtic Name: 2-cyano-5-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzamide Openeye Name: 5-[6-(benzylamino)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-2-cyano-benzamide CAS Name: 2-cyano-5-[[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzamide IUPAC Name: 5-[6-(benzylamino)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxy-2-cyanobenzamide Traditional Name: 5-[6-(benzylamino)-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-2-cyano-benzamide Formula: C20H16N6O6S MolecularWeight: 468.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=CC(=C(C=C2)C#N)C(=O)N)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=CC(=C(C=C2)C#N)C(=O)N)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C20H16N6O6S/c1-33(30,31)20-24-18(23-11-12-5-3-2-4-6-12)16(26(28)29)19(25-20)32-14-8-7-13(10-21)15(9-14)17(22)27/h2-9H,11H2,1H3,(H2,22,27)(H,23,24,25)