3-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-5-ethoxy-benzenecarbonitrile

Systemtic Name: 3-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-5-ethoxy-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-5-ethoxy-benzonitrile CAS Name: 3-[(6-amino-2-methylsulfonyl-5-nitro-4-pyrimidinyl)oxy]-5-ethoxybenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)oxy-5-ethoxybenzonitrile Traditional Name: 3-(6-amino-2-mesyl-5-nitro-pyrimidin-4-yl)oxy-5-ethoxy-benzonitrile Formula: C14H13N5O6S MolecularWeight: 379.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])N)S(=O)(=O)C)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])N)S(=O)(=O)C)C#N

InChI

InChI=1S/C14H13N5O6S/c1-3-24-9-4-8(7-15)5-10(6-9)25-13-11(19(20)21)12(16)17-14(18-13)26(2,22)23/h4-6H,3H2,1-2H3,(H2,16,17,18)