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

Systemtic Name: 5-(1-ethylpyrazol-4-yl)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-(1-ethylpyrazol-4-yl)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-(1-ethyl-4-pyrazolyl)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate IUPAC Name: 5-(1-ethylpyrazol-4-yl)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-(1-ethylpyrazol-4-yl)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Formula: C18H17N6O- MolecularWeight: 333.36718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=NC(=NN3C(=C2)[O-])CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=NC(=NN3C(=C2)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C18H18N6O/c1-2-23-12-14(11-19-23)15-10-17(25)24-18(20-15)21-16(22-24)9-8-13-6-4-3-5-7-13/h3-7,10-12,25H,2,8-9H2,1H3/p-1