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

Systemtic Name: 3-[2-cyanoethyl-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O2/c1-2-14-7-3-4-12-23(14)17-15(24(25)26)16(20-13-21-17)22(10-5-8-18)11-6-9-19/h13-14H,2-7,10-12H2,1H3