4-(4-tert-butylphenoxy)-6-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-tert-butylphenoxy)-6-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-tert-butylphenoxy)-6-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-tert-butylphenoxy)-6-(methylthio)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-tert-butylphenoxy)-6-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-tert-butylphenoxy)-6-(methylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)SC

InChI

InChI=1S/C22H22N4OS/c1-22(2,3)15-10-12-17(13-11-15)27-20-18-14-23-26(16-8-6-5-7-9-16)19(18)24-21(25-20)28-4/h5-14H,1-4H3