6-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-(2-butoxy-2-oxo-ethyl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[(2-butoxy-2-oxoethyl)thio]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 6-(2-butoxy-2-oxoethyl)sulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[(2-butoxy-2-keto-ethyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C17H17N4O3S- MolecularWeight: 357.40688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)[O-]

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-2-3-9-24-14(22)11-25-17-19-15-13(16(23)20-17)10-18-21(15)12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H,19,20,23)/p-1