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

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-bromophenyl)methylthio]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-bromobenzyl)thio]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H15BrN4OS MolecularWeight: 427.3176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4OS/c1-12-2-8-15(9-3-12)24-17-16(10-21-24)18(25)23-19(22-17)26-11-13-4-6-14(20)7-5-13/h2-10,21H,11H2,1H3