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

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]propionitrile Formula: C16H16N8O2 MolecularWeight: 352.35064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N8O2/c17-5-2-8-23(9-3-6-18)16-14(24(25)26)15(21-12-22-16)20-11-13-4-1-7-19-10-13/h1,4,7,10,12H,2-3,8-9,11H2,(H,20,21,22)