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

Systemtic Name: 2-[cyanomethyl-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C19H20N8O2 MolecularWeight: 392.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N8O2/c20-6-8-25(9-7-21)18-17(27(28)29)19(23-15-22-18)26-12-10-24(11-13-26)14-16-4-2-1-3-5-16/h1-5,15H,8-14H2