3-[2-cyanoethyl-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]propionitrile Formula: C14H17N7O2 MolecularWeight: 315.33048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N7O2/c15-5-3-9-20(10-4-6-16)14-12(21(22)23)13(17-11-18-14)19-7-1-2-8-19/h11H,1-4,7-10H2