3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazinyl]pentanenitrile IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile Traditional Name: 3-[4-(2-pyrimidyl)piperazino]valeronitrile Formula: C13H19N5 MolecularWeight: 245.32346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CCC(CC#N)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C13H19N5/c1-2-12(4-5-14)17-8-10-18(11-9-17)13-15-6-3-7-16-13/h3,6-7,12H,2,4,8-11H2,1H3