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

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]propionitrile Formula: C15H14N8O2 MolecularWeight: 338.32406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H14N8O2/c16-5-1-9-22(10-2-6-17)15-13(23(24)25)14(19-11-20-15)21-12-3-7-18-8-4-12/h3-4,7-8,11H,1-2,9-10H2,(H,18,19,20,21)