2-[cyanomethyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(CC#N)CC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(CC#N)CC#N)C

InChI

InChI=1S/C16H14N6O3/c1-11-7-12(2)9-13(8-11)25-16-14(22(23)24)15(19-10-20-16)21(5-3-17)6-4-18/h7-10H,5-6H2,1-2H3