6-[(4-bromophenyl)methylsulfanyl]-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-bromophenyl)methylthio]-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-bromobenzyl)thio]-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C20H17BrN4OS/c1-12-3-8-16(9-13(12)2)25-18-17(10-22-25)19(26)24-20(23-18)27-11-14-4-6-15(21)7-5-14/h3-10,22H,11H2,1-2H3