2-[cyanomethyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]acetonitrile Traditional Name: 2-[cyanomethyl-(5-nitro-6-piperidino-pyrimidin-4-yl)amino]acetonitrile Formula: C13H15N7O2 MolecularWeight: 301.3039

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O2/c14-4-8-19(9-5-15)13-11(20(21)22)12(16-10-17-13)18-6-2-1-3-7-18/h10H,1-3,6-9H2