6-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H15BrN4O3S MolecularWeight: 471.3271

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C20H15BrN4O3S/c21-15-9-17-16(27-6-7-28-17)8-12(15)11-29-20-23-18-14(19(26)24-20)10-22-25(18)13-4-2-1-3-5-13/h1-5,8-10,22H,6-7,11H2