2-[cyanomethyl-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O3/c1-12(2)13-3-5-14(6-4-13)26-17-15(23(24)25)16(20-11-21-17)22(9-7-18)10-8-19/h3-6,11-12H,9-10H2,1-2H3