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

Systemtic Name: 3-bromanyl-5-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzenecarbonitrile Openeye Name: 3-[6-(benzylamino)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-5-bromo-benzonitrile CAS Name: 3-bromo-5-[[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-[6-(benzylamino)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxy-5-bromobenzonitrile Traditional Name: 3-[6-(benzylamino)-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-5-bromo-benzonitrile Formula: C19H14BrN5O5S MolecularWeight: 504.31396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN5O5S/c1-31(28,29)19-23-17(22-11-12-5-3-2-4-6-12)16(25(26)27)18(24-19)30-15-8-13(10-21)7-14(20)9-15/h2-9H,11H2,1H3,(H,22,23,24)