6-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-keto-7-methoxy-chromen-4-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H16N4O4S/c1-29-15-7-8-16-13(9-19(27)30-18(16)10-15)12-31-22-24-20-17(21(28)25-22)11-23-26(20)14-5-3-2-4-6-14/h2-11,23H,12H2,1H3