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

Systemtic Name: 6-[2-(2-ethanoylphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(2-acetylphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-(2-acetylphenoxy)ethylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(2-acetylphenoxy)ethylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[2-(2-acetylphenoxy)ethylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-14(26)16-9-5-6-10-18(16)28-11-12-29-21-23-19-17(20(27)24-21)13-22-25(19)15-7-3-2-4-8-15/h2-10,13,22H,11-12H2,1H3