ethanedioic acid; 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile

Systemtic Name: ethanedioic acid; 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile Openeye Name: oxalic acid; 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile CAS Name: oxalic acid; 4-[4-(2-pyrimidinyl)-1-piperazinyl]butanenitrile IUPAC Name: oxalic acid; 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile Traditional Name: oxalic acid; 4-[4-(2-pyrimidyl)piperazino]butyronitrile Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC#N)C2=NC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC#N)C2=NC=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17N5.C2H2O4/c13-4-1-2-7-16-8-10-17(11-9-16)12-14-5-3-6-15-12;3-1(4)2(5)6/h3,5-6H,1-2,7-11H2;(H,3,4)(H,5,6)