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

Systemtic Name: 2-[cyanomethyl-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]acetonitrile Formula: C14H12N8O2 MolecularWeight: 324.29748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N8O2/c15-3-6-21(7-4-16)14-12(22(23)24)13(19-10-20-14)18-9-11-2-1-5-17-8-11/h1-2,5,8,10H,6-7,9H2,(H,18,19,20)