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

Systemtic Name: 5-[[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]pent-4-ynoic acid Openeye Name: 5-[[4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]pent-4-ynoic acid CAS Name: 5-[[oxo-[4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]-4-pentynoic acid IUPAC Name: 5-[[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]pent-4-ynoic acid Traditional Name: 5-[[4-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]pent-4-ynoic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NC#CCCC(=O)O

Isomeric SMILES

C1CN(CCC1NC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NC#CCCC(=O)O

InChI

InChI=1S/C21H23N5O3/c27-19(28)4-1-2-11-22-20(29)16-5-7-18(8-6-16)26-14-9-17(10-15-26)25-21-23-12-3-13-24-21/h3,5-8,12-13,17H,1,4,9-10,14-15H2,(H,22,29)(H,27,28)(H,23,24,25)