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

Systemtic Name: 3-[2-cyanoethyl-[6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(4-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(4-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O2/c1-13-4-10-22(11-5-13)16-14(23(24)25)15(19-12-20-16)21(8-2-6-17)9-3-7-18/h12-13H,2-5,8-11H2,1H3