2-phenethyl-7-(3-phenylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate

Systemtic Name: 2-phenethyl-7-(3-phenylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate Openeye Name: 2-phenethyl-7-(3-phenylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate CAS Name: 7-[(1-oxo-3-phenylpropyl)amino]-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate IUPAC Name: 2-phenethyl-7-(3-phenylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate Traditional Name: 7-(hydrocinnamoylamino)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate Formula: C22H20N5O2- MolecularWeight: 386.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN3C(=CC(=NC3=N2)[O-])NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN3C(=CC(=NC3=N2)[O-])NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c28-20(14-12-17-9-5-2-6-10-17)24-19-15-21(29)25-22-23-18(26-27(19)22)13-11-16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,24,28)(H,23,25,26,29)/p-1