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

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

Systemtic Name:3-[2-cyanoethyl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile
Openeye Name:3-[2-cyanoethyl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile
CAS Name:3-[2-cyanoethyl-[6-(cyclohexylamino)-5-nitro-4-pyrimidinyl]amino]propanenitrile
IUPAC Name:3-[2-cyanoethyl-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]amino]propanenitrile
Traditional Name:3-[2-cyanoethyl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]propionitrile
Formula: C16H21N7O2
MolecularWeight: 343.38364
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]


Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]


InChI

InChI=1S/C16H21N7O2/c17-8-4-10-22(11-5-9-18)16-14(23(24)25)15(19-12-20-16)21-13-6-2-1-3-7-13/h12-13H,1-7,10-11H2,(H,19,20,21)


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