5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]pent-4-ynoic acid

Systemtic Name: 5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]pent-4-ynoic acid Openeye Name: 5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]pent-4-ynoic acid CAS Name: 5-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]-4-pentynoic acid IUPAC Name: 5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]pent-4-ynoic acid Traditional Name: 5-[[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]pent-4-ynoic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NC#CCCC(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)NC#CCCC(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C20H21N5O3/c26-18(27)4-1-2-9-21-19(28)16-5-7-17(8-6-16)24-12-14-25(15-13-24)20-22-10-3-11-23-20/h3,5-8,10-11H,1,4,12-15H2,(H,21,28)(H,26,27)