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

Systemtic Name: 3-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-(dimethylamino)benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-(dimethylamino)benzonitrile CAS Name: 3-[(6-amino-2-methylsulfonyl-5-nitro-4-pyrimidinyl)oxy]-4-(dimethylamino)benzonitrile IUPAC Name: 3-(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)oxy-4-(dimethylamino)benzonitrile Traditional Name: 3-(6-amino-2-mesyl-5-nitro-pyrimidin-4-yl)oxy-4-(dimethylamino)benzonitrile Formula: C14H14N6O5S MolecularWeight: 378.36316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O5S/c1-19(2)9-5-4-8(7-15)6-10(9)25-13-11(20(21)22)12(16)17-14(18-13)26(3,23)24/h4-6H,1-3H3,(H2,16,17,18)