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

Systemtic Name: 3-[2-cyanoethyl-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(2-naphthyloxy)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(2-naphthoxy)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C20H16N6O3 MolecularWeight: 388.37944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OC3=NC=NC(=C3[N+](=O)[O-])N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OC3=NC=NC(=C3[N+](=O)[O-])N(CCC#N)CCC#N

InChI

InChI=1S/C20H16N6O3/c21-9-3-11-25(12-4-10-22)19-18(26(27)28)20(24-14-23-19)29-17-8-7-15-5-1-2-6-16(15)13-17/h1-2,5-8,13-14H,3-4,11-12H2