3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methoxy-benzenecarbonitrile

Systemtic Name: 3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methoxy-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methoxy-benzonitrile CAS Name: 3-[[6-amino-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-methoxybenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-5-methoxybenzonitrile Traditional Name: 3-[6-amino-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-methoxy-benzonitrile Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])N)SC)C#N

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])N)SC)C#N

InChI

InChI=1S/C13H11N5O4S/c1-21-8-3-7(6-14)4-9(5-8)22-12-10(18(19)20)11(15)16-13(17-12)23-2/h3-5H,1-2H3,(H2,15,16,17)