6-(tert-butylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(tert-butylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzylsulfanyl-6-(tert-butylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(tert-butylamino)-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-benzylsulfanyl-6-(tert-butylamino)-1,5-diphenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(benzylthio)-6-(tert-butylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C28H27N5OS MolecularWeight: 481.61188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)NC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

InChI

InChI=1S/C28H27N5OS/c1-28(2,3)30-27-29-24-23(26(34)32(27)21-15-9-5-10-16-21)25(35-19-20-13-7-4-8-14-20)31-33(24)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3,(H,29,30)