6-(2-oxidanylidenepropylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(2-oxidanylidenepropylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-acetonylsulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(2-oxopropylthio)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(2-oxopropylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(acetonylthio)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C=NN2)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NC2=C(C=NN2)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2S/c1-9(19)8-21-14-16-12-11(7-15-17-12)13(20)18(14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,17)