ethanedioic acid; 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: ethanedioic acid; 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine Openeye Name: oxalic acid; 2-[4-(2-pyridylmethyl)piperazin-1-yl]pyrimidine CAS Name: oxalic acid; 2-[4-(2-pyridinylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: oxalic acid; 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine Traditional Name: oxalic acid; 2-[4-(2-pyridylmethyl)piperazino]pyrimidine Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C3=NC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C3=NC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H17N5.C2H2O4/c1-2-5-15-13(4-1)12-18-8-10-19(11-9-18)14-16-6-3-7-17-14;3-1(4)2(5)6/h1-7H,8-12H2;(H,3,4)(H,5,6)