6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4-thiolate

Systemtic Name: 6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4-thiolate Openeye Name: 6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4-thiolate CAS Name: 6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinethiolate IUPAC Name: 6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4-thiolate Traditional Name: 6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4-thiolate Formula: C13H11N4S- MolecularWeight: 255.31824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)[S-]

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)[S-]

InChI

InChI=1S/C13H12N4S/c1-2-11-15-12-10(13(18)16-11)8-14-17(12)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16,18)/p-1