6-[(4-tert-butylphenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(4-tert-butylphenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-tert-butylphenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-tert-butylphenyl)methylthio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-tert-butylphenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-tert-butylbenzyl)thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-22(2,3)16-11-9-15(10-12-16)14-28-21-24-19-18(13-23-25-19)20(27)26(21)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,23,25)