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

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C19H20N6O3 MolecularWeight: 380.4005

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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(CCC#N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O3/c1-14(2)15-5-7-16(8-6-15)28-19-17(25(26)27)18(22-13-23-19)24(11-3-9-20)12-4-10-21/h5-8,13-14H,3-4,11-12H2,1-2H3