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

Systemtic Name: 2-[cyanomethyl-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]ethanenitrile Openeye Name: 2-[cyanomethyl-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]acetonitrile Traditional Name: 2-[cyanomethyl-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]acetonitrile Formula: C12H13N7O2 MolecularWeight: 287.27732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O2/c13-3-7-18(8-4-14)12-10(19(20)21)11(15-9-16-12)17-5-1-2-6-17/h9H,1-2,5-8H2