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

Systemtic Name: 3-[2-cyanoethyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3/c1-13-9-14(2)11-15(10-13)27-18-16(24(25)26)17(21-12-22-18)23(7-3-5-19)8-4-6-20/h9-12H,3-4,7-8H2,1-2H3