6-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(7-hydroxy-2-keto-8-methyl-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:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)O

InChI

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