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

Systemtic Name: 2-[cyanomethyl-[6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(4-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(4-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C14H17N7O2 MolecularWeight: 315.33048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N7O2/c1-11-2-6-19(7-3-11)13-12(21(22)23)14(18-10-17-13)20(8-4-15)9-5-16/h10-11H,2-3,6-9H2,1H3