2-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzamide

Systemtic Name: 2-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzamide Openeye Name: 2-(6-amino-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzamide CAS Name: 2-[(6-amino-2-methylsulfonyl-5-nitro-4-pyrimidinyl)oxy]-4-cyanobenzamide IUPAC Name: 2-(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)oxy-4-cyanobenzamide Traditional Name: 2-(6-amino-2-mesyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzamide Formula: C13H10N6O6S MolecularWeight: 378.3201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N6O6S/c1-26(23,24)13-17-10(15)9(19(21)22)12(18-13)25-8-4-6(5-14)2-3-7(8)11(16)20/h2-4H,1H3,(H2,16,20)(H2,15,17,18)