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

Systemtic Name: 2-[cyanomethyl-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O2/c21-8-12-26(13-9-22)20-18(27(28)29)19(23-15-24-20)25-10-6-17(7-11-25)14-16-4-2-1-3-5-16/h1-5,15,17H,6-7,10-14H2