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

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(4-tert-butylphenyl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(4-tert-butylbenzyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H22N4S/c1-22(2,3)17-11-9-16(10-12-17)14-27-21-19-13-25-26(20(19)23-15-24-21)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3