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

Systemtic Name: 2-[cyanomethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amino]acetonitrile Formula: C18H18N8O2 MolecularWeight: 378.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N8O2/c19-6-8-24(9-7-20)17-16(26(27)28)18(22-14-21-17)25-12-10-23(11-13-25)15-4-2-1-3-5-15/h1-5,14H,8-13H2