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

Systemtic Name: 2-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzamide Openeye Name: 2-(6-amino-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-cyano-benzamide CAS Name: 2-[[6-amino-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-cyanobenzamide IUPAC Name: 2-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-cyanobenzamide Traditional Name: 2-[6-amino-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzamide Formula: C13H10N6O4S MolecularWeight: 346.3213

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OC2=C(C=CC(=C2)C#N)C(=O)N)[N+](=O)[O-])N

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC2=C(C=CC(=C2)C#N)C(=O)N)[N+](=O)[O-])N

InChI

InChI=1S/C13H10N6O4S/c1-24-13-17-10(15)9(19(21)22)12(18-13)23-8-4-6(5-14)2-3-7(8)11(16)20/h2-4H,1H3,(H2,16,20)(H2,15,17,18)