2-phenethyl-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 2-phenethyl-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-phenethyl-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate CAS Name: 2-phenethyl-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate IUPAC Name: 2-phenethyl-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-phenethyl-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Formula: C16H17N4O- MolecularWeight: 281.33238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=NC(=NN2C(=C1)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NC2=NC(=NN2C(=C1)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O/c1-2-6-13-11-15(21)20-16(17-13)18-14(19-20)10-9-12-7-4-3-5-8-12/h3-5,7-8,11,21H,2,6,9-10H2,1H3/p-1